data_2srt_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 2srt _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 ' 84' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.7 p -116.86 -126.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.644 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 178.28 170.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -175.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.644 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.96 85.21 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.58 1.832 . . . . 0.0 111.008 177.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.4 -7.64 5.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.1 mt 67.15 115.96 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.48 12.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.2 pttp 176.91 123.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -74.47 149.82 40.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -84.59 -4.4 58.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -134.05 148.23 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.1 p -85.87 -34.77 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.83 85.36 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.74 162.27 18.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 150.38 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -143.49 169.98 16.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -166.04 138.09 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.45 114.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.3 t -73.82 -40.52 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -147.48 163.54 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.47 -172.68 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.75 143.2 28.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 -178.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.0 62.42 5.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.75 -48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.77 159.91 27.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.11 25.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.74 -34.47 52.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.34 86.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.35 -52.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -53.72 -33.44 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -42.25 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.1 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 25.4 t -68.79 -55.1 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.89 -34.8 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.98 -50.86 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.82 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.369 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 25.4 mt -61.62 -53.05 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -57.34 -40.45 78.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -52.29 -35.35 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.473 ' CE3' HD12 ' A' ' 242' ' ' ILE . 91.6 m95 -93.22 -30.79 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.11 -23.46 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.45 -19.36 53.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.5 m -129.73 17.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -171.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -145.92 160.54 43.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 168.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.14 20.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 111.011 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.3 mt -60.34 155.04 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.7 p -132.94 164.58 26.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -136.26 157.74 46.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -173.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -154.15 145.38 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -96.29 148.81 22.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.4 mt -125.74 111.15 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -55.48 -25.5 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -155.02 160.23 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.14 -172.44 17.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -105.77 102.9 12.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.343 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.81 161.95 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.25 -46.89 81.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.47 88.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.4 mtt -91.14 87.38 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.19 123.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -142.99 125.3 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 4.8 m-30 -85.04 160.87 19.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.81 141.51 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.2 m -96.43 164.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 41.35 -149.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.94 141.78 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.575 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 52.3 p-80 -156.66 48.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 84.63 179.93 51.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 46.04 -160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.57 75.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.575 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.31 67.59 5.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 176.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.72 2.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -168.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 169.867 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 51.34 -152.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 162' ' ' ASN . 41.0 t -37.08 116.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.72 -40.1 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 141.01 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -127.55 161.03 29.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.67 155.64 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -111.16 167.43 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.29 168.69 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 -176.244 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -69.69 146.47 51.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.54 -30.86 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.93 167.84 21.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.76 . . . . 0.0 109.332 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.36 131.05 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 3.8 m170 -116.1 134.8 54.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.9 m-85 -102.71 -178.06 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -99.86 111.38 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.72 -17.79 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -89.74 49.91 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.51 151.12 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -74.24 154.72 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -142.85 155.88 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 -176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.564 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 24.4 p -144.61 172.53 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -112.87 19.45 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.32 -179.79 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.2 p -75.21 84.34 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.7 t -156.58 -43.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.564 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.4 -135.4 8.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 173.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 194' ' ' ASN . 91.9 m -99.56 78.63 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.387 167.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 193' ' ' THR . 16.0 t-20 -33.77 115.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -173.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.36 -58.41 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.46 -46.56 26.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 197' ' ' LEU . 0.3 OUTLIER -53.78 -40.99 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.28 -30.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -70.5 -38.5 74.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.32 -22.76 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -76.41 -59.13 2.9 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 121.132 -0.98 . . . . 0.0 110.824 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -52.81 -50.27 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.3 OUTLIER -53.81 -36.4 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -178.185 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.436 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -53.8 -44.45 70.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -61.79 -38.82 89.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.645 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 41.6 m -68.54 -36.29 78.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.11 -48.74 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 134.21 56.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 209' ' ' LEU . 1.5 pt? -163.24 145.86 10.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 171.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 211' ' ' HIS . 26.8 m-85 -120.0 -173.36 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 49.0 m170 -40.03 138.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.578 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.03 176.4 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -103.49 56.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 5.8 t-20 -154.82 145.91 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.5 t -90.12 -25.99 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.93 -14.12 59.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.92 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -15.65 30.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.7 mmm -80.05 -8.81 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.1 t80 -58.9 145.0 80.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.04 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.09 134.46 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -53.64 143.07 21.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -144.35 124.22 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 6.5 m -117.62 177.33 4.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.68 149.68 33.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.9 t -47.28 -35.73 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -142.52 98.07 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -65.17 -18.43 65.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -8.22 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.5 mmt-85 -116.34 -6.09 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.5 OUTLIER -44.57 152.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -175.457 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -157.21 156.47 32.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.97 142.18 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 159.03 31.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -54.28 -30.24 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -44.04 83.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -50.78 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 240' ' ' ASN . 2.1 mp -57.86 -38.94 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 239' ' ' ILE . 49.7 t-20 -38.34 -52.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.15 -49.2 6.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.473 HD12 ' CE3' ' A' ' 124' ' ' TRP . 0.4 OUTLIER -56.52 -27.36 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 -173.319 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 239' ' ' ILE . 0.0 OUTLIER -93.63 -40.13 10.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 8.0 m -58.79 -25.08 62.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.56 -16.37 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -143.72 -94.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 101.52 115.15 3.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.87 28.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.94 32.34 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.221 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -119.69 -114.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.634 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.86 170.38 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -178.145 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.634 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.12 81.66 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.51 -9.33 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -173.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.0 mt 66.2 112.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.41 10.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt 172.4 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -68.65 152.5 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 108.049 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -87.33 -4.79 59.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.54 143.39 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -86.88 -38.19 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -75.09 78.2 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.563 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.48 154.9 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.75 145.6 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 172.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -138.86 171.98 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -163.26 147.65 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -102.33 118.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -80.88 -40.36 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -152.03 166.33 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.49 156.38 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 1.3 t -79.79 143.14 57.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.9 64.23 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.75 -48.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.6 mt -101.07 158.13 32.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.43 22.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -64.77 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -37.98 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.47 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -53.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -34.44 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -57.46 -45.46 84.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.19 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 4.9 t -77.02 -52.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.369 1.043 . . . . 0.0 109.264 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' OE2' ' NZ ' ' A' ' 122' ' ' LYS . 9.3 tp10 -46.62 -30.07 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.492 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.2 mttm -88.84 -51.56 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.49 -39.74 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 76.7 mt -66.06 -53.13 42.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -56.8 -35.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -177.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.96 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.492 ' CH2' HD11 ' A' ' 209' ' ' LEU . 91.7 m95 -89.79 -29.7 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.007 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.49 -23.1 24.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.72 -19.61 51.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.61 16.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -171.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.9 p -144.66 159.25 51.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 171.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.76 20.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.13 154.56 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -170.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.8 p -135.38 134.48 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.24 145.22 40.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -141.81 146.37 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -95.25 150.96 19.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.9 mt -126.4 100.69 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.347 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -49.62 -30.18 8.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.33 163.36 36.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.357 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.27 -169.71 30.78 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -94.7 147.77 22.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.08 162.15 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.37 -42.79 98.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.92 94.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.2 mmt -90.8 82.31 5.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.09 131.4 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -153.05 142.22 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.1 m-30 -101.94 160.63 14.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . . . -165.88 143.76 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.5 m -93.95 167.37 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.8 OUTLIER 35.66 -134.91 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 176.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.7 141.61 56.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.614 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 56.7 p-80 -166.41 43.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 176.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.56 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 89.3 179.8 45.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER 43.59 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 177.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 154' ' ' PHE . 2.7 p90 -131.0 80.69 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 111.023 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.614 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.02 77.5 5.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 115.32 4.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.812 . . . . 0.0 111.026 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 175.098 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.72 -162.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 162' ' ' ASN . 38.2 t -34.26 112.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 170.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.14 -40.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.9 2.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.59 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 7.4 p-80 -127.65 163.37 24.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -161.6 157.87 25.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -113.53 175.28 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.59 172.85 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 -174.458 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -85.79 163.12 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.52 -37.73 2.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.7 t0 -72.3 152.46 42.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.302 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -120.45 139.12 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.384 1.052 . . . . 0.0 109.378 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -121.06 136.25 55.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.619 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 30.0 m-85 -109.93 -178.92 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -95.12 134.79 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.86 -20.66 14.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.46 51.56 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -163.98 153.5 14.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.502 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 56.8 tp60 -74.38 154.99 38.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.264 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.502 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 95.2 m95 -143.72 156.68 44.6 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.571 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 31.7 p -134.56 163.47 29.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -92.05 -24.1 19.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -134.42 -172.03 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.3 p -75.33 69.66 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.447 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.1 p -135.29 13.18 3.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 110.398 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.571 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 175.59 -139.01 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 27.6 m -84.01 87.15 7.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.428 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.65 114.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.84 -51.47 55.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -51.22 -54.39 26.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 -178.144 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -34.87 69.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.26 -31.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.78 -34.1 74.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -174.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -75.05 -59.02 2.93 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 121.202 -0.936 . . . . 0.0 110.835 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.23 -49.72 66.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.5 OUTLIER -54.28 -39.8 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -178.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.472 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -51.86 -41.7 52.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 87.8 m-70 -64.28 -42.12 96.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.644 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.7 t -64.61 -31.68 73.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.25 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -162.61 34.38 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.936 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.492 HD11 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.75 177.33 6.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 24.4 m-85 -152.74 -68.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.928 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 42.2 m170 -148.1 134.78 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.531 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 7.0 m -91.36 -99.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.459 1.1 . . . . 0.0 110.022 -175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 173.81 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.209 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.6 148.32 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.8 t -89.71 -21.84 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.55 -13.57 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.93 168.59 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.417 HD11 ' CZ ' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -98.86 -16.63 18.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 177.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 0.0 OUTLIER -81.87 -15.34 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -177.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.542 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 31.9 t80 -47.81 140.63 8.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.542 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.96 50.75 2.59 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 2.5 tp -168.04 150.55 5.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.54 149.9 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -158.56 123.12 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 149.66 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.055 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.4 tp -123.52 128.73 50.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 226' ' ' LEU . 27.5 m -34.72 -57.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -98.48 91.23 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -74.03 -18.34 60.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -174.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -7.0 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 229' ' ' LEU . 29.7 mtt-85 -114.72 -5.96 12.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.514 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.2 OUTLIER -52.35 144.34 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -177.33 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.489 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 6.4 ttt180 -154.49 155.68 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 174.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.406 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 8.7 mt -72.02 133.95 45.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.7 p -70.72 168.73 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -62.08 -27.84 69.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.11 -35.65 67.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -50.8 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.421 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.4 mp -59.16 -35.11 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.56 -49.0 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.58 -52.86 4.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.421 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.58 -46.33 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.227 -174.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -27.7 59.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -174.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -67.55 -38.2 83.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.37 -40.1 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -112.26 -90.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.92 112.81 2.76 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.51 26.83 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 110.925 179.265 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -130.41 134.57 47.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.394 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.69 170.8 0.27 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.65 6.72 12.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.6 mt 55.89 96.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.289 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt 172.56 123.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -65.08 156.19 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -94.65 -4.1 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 110.233 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -123.38 150.6 43.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.0 p -89.93 -30.7 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.9 74.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.58 159.13 30.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.251 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.93 149.39 50.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -139.88 173.47 11.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -165.42 146.25 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -101.59 115.96 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.94 -40.48 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -175.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -157.95 171.52 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -123.75 -170.74 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -116.01 143.89 31.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -177.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 67.46 5.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -162.63 -47.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.4 mt -104.85 158.36 32.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.01 23.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 171.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.81 -60.27 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -51.12 -35.63 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.23 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.61 -51.14 60.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.11 -34.59 63.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -60.78 -46.86 88.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.56 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.12 -52.1 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.36 -30.11 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -86.74 -53.46 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.32 -45.49 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.56 -52.62 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.44 -35.3 77.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -34.83 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.441 ' CD1' HG23 ' A' ' 203' ' ' ILE . 95.5 m95 -87.19 -33.25 19.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.77 -24.25 34.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.44 -18.23 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.88 21.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 242' ' ' ILE . 73.0 p -145.81 160.2 44.68 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 171.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.23 21.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 173.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.4 HD23 ' CE1' ' A' ' 246' ' ' TYR . 58.3 mt -58.39 156.27 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -172.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.6 p -137.75 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -106.46 125.49 51.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.2 t -106.25 162.1 13.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.37 146.99 28.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -133.24 136.12 45.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -95.4 -10.54 29.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.11 171.29 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.66 -175.78 45.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.3 104.42 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.48 160.02 26.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -39.47 94.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.4 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.8 mt -117.6 88.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -90.56 90.46 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.39 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -155.2 165.24 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.015 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -119.11 141.61 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.44 166.73 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 109.271 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.492 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -134.74 176.61 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 148' ' ' VAL . 19.7 ptp180 33.52 -153.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 33.3 tt0 -59.29 110.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.653 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 26.3 p-80 -120.15 26.5 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.661 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 112.63 38.1 1.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 155' ' ' TYR . 2.1 t0 178.22 -164.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -107.29 64.69 0.64 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.99 64.23 3.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 131.08 13.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 157' ' ' PHE . 4.3 m-30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 111.073 171.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.5 -156.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.3 t -40.42 111.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.1 mt -80.01 -39.86 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.16 143.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.422 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -126.61 171.34 11.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -151.29 163.68 38.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -122.5 150.57 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -59.01 177.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 171.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -89.75 153.95 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.02 -22.98 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.49 166.38 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.241 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.76 106.61 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -93.66 120.2 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.594 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.46 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 40.7 m-85 -96.99 156.46 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.054 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -78.83 106.52 10.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -76.79 -29.36 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.97 52.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -164.03 146.68 9.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -71.91 154.86 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.223 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -139.93 155.77 47.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 29.5 p -138.09 179.5 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -118.32 14.12 13.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -162.36 179.24 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.5 p -79.43 77.89 5.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.6 t -143.42 -42.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -113.86 -134.57 5.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 32.6 m -92.21 88.43 6.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 110.389 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -48.83 117.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 199' ' ' ALA . 56.3 tp -69.04 -54.96 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -175.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.2 OUTLIER -51.84 -50.39 60.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.043 -176.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -35.21 73.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 t -76.5 -31.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -61.34 -40.17 93.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.07 -51.42 66.41 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.46 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 0.3 OUTLIER -51.94 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 177.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.4 mp -47.39 -41.81 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.55 -44.96 23.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -71.58 -39.57 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.1 t -59.25 -35.5 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.59 -67.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.41 53.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.92 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.49 126.92 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.733 . . . . 0.0 109.293 173.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 211' ' ' HIS . 35.3 m-85 -107.52 -176.16 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 210' ' ' PHE . 40.3 m170 -36.68 135.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.62 -173.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 p -92.3 -163.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -130.48 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.69 148.36 14.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.1 p -85.02 -23.46 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.396 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.7 -15.49 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -85.47 158.32 20.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.16 -27.22 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 219' ' ' MET . 0.0 OUTLIER -66.4 -19.89 65.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 17.4 t80 -44.18 143.18 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 172.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -74.92 -35.61 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -169.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 131.07 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -65.55 147.13 53.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.3 123.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 83.5 p -119.35 133.66 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 227' ' ' THR . 62.2 tp -82.79 126.71 32.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 226' ' ' LEU . 39.2 m -34.38 -58.49 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.463 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -97.98 90.02 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -65.78 -18.9 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -173.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -7.97 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 229' ' ' LEU . 18.2 mmm180 -111.51 -6.08 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.523 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.3 OUTLIER -54.62 144.99 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 -177.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -155.18 158.87 39.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 176.522 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.68 130.42 36.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 87.4 p -73.75 166.28 23.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -55.76 -31.87 62.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -58.88 -39.2 80.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.86 -45.21 59.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.434 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.5 mp -66.02 -34.68 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -52.54 -45.94 66.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.56 -57.59 4.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.492 HG12 ' CG2' ' A' ' 128' ' ' THR . 1.2 tp -52.57 -45.62 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.76 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.7 m -71.62 -31.86 67.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.938 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.46 -18.31 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.4 ' CE1' HD23 ' A' ' 130' ' ' LEU . 39.1 m-85 -146.5 -91.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.908 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.88 119.33 3.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.01 28.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.036 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 123.79 8.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 0.0 111.039 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 178.181 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.7 p -131.34 138.63 49.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.6 OUTLIER -55.25 169.79 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 175.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.46 1.768 . . . . 0.0 111.046 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.9 -9.01 5.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.2 mt 66.44 104.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.378 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.53 13.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.3 pttt 177.65 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -62.78 153.92 31.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -88.97 -3.9 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.45 158.69 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 p -90.06 -31.67 17.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -74.68 92.81 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.612 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.6 mt -96.01 149.54 21.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.06 151.08 42.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 172.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -139.76 171.77 13.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -162.41 148.52 12.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.4 116.34 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.269 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.16 -40.37 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -157.72 172.05 19.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -128.69 -171.2 2.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -111.77 144.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.346 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 68.32 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.098 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.22 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -98.83 157.2 34.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.28 27.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 170.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -62.55 -63.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.49 -34.25 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.82 89.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.426 ' O ' ' HB1' ' A' ' 116' ' ' ALA . 41.0 t -65.31 -52.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.98 -37.54 64.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.946 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 113' ' ' VAL . . . -52.07 -42.21 62.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.391 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.45 -50.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -48.14 -28.05 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -88.62 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.84 -42.65 68.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.86 -50.98 67.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -60.48 -41.42 94.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -51.35 -31.92 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 209' ' ' LEU . 83.1 m95 -88.75 -34.46 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.99 -24.7 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 0.0 110.306 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -19.22 60.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.6 m -131.5 16.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 68.8 p -144.28 158.64 54.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.79 21.49 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.36 154.13 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -170.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.82 134.26 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.41 125.02 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 -172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.9 t -104.08 161.92 13.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 110.073 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -106.11 149.72 26.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.277 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 71.6 mt -136.44 144.43 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -109.26 -6.38 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.07 170.36 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -158.22 49.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -104.03 160.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.27 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.48 158.21 44.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -62.17 -37.66 86.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.12 86.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.21 89.2 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.51 143.39 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -152.42 153.29 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.069 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.37 147.93 33.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.18 144.14 19.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.8 156.01 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 169.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 54.04 -170.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.54 137.71 29.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CD2' ' OD1' ' A' ' 153' ' ' ASP . 25.2 p-80 -134.68 47.97 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -174.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.4 67.56 2.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.627 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.5 p-10 -178.04 -173.08 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -171.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.37 3.59 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.627 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -118.41 91.91 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 175.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 178.71 6.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.105 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 52.81 -157.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 162' ' ' ASN . 58.3 t -36.98 116.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.72 -41.34 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.381 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.01 143.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.442 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 1.7 p-80 -134.35 165.85 24.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' A' ' 205' ' ' HIS . . . -156.67 171.17 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.57 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 54.7 m-85 -143.33 164.24 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -173.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -52.37 159.8 1.49 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.239 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 -177.264 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -86.72 146.44 26.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.24 -32.99 5.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 148.61 39.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -114.05 130.61 56.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -110.25 121.06 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.622 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.511 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 44.8 m-85 -103.65 168.86 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.36 132.7 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 -18.47 17.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 176.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.35 49.19 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.82 145.87 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -139.16 158.0 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.601 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 49.5 p -141.85 171.81 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.471 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -111.29 14.53 21.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -179.31 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.9 p -82.8 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.8 t -114.22 -16.58 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 110.432 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.601 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.38 -146.14 5.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 194' ' ' ASN . 96.0 m -88.45 74.69 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 167.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.4 t30 -34.81 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 199' ' ' ALA . 52.0 tp -72.68 -50.3 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -53.36 -48.0 68.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -177.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -62.07 -34.96 77.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.23 -32.13 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -59.48 -39.18 82.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -56.3 -55.37 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -46.44 -55.48 7.37 Favored 'General case' 0 N--CA 1.513 2.709 0 O-C-N 121.119 -0.988 . . . . 0.0 110.874 174.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.511 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 1.1 mm-40 -50.07 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -48.73 -41.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -176.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.11 -49.5 30.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 167' ' ' ALA . 73.6 m-70 -62.63 -37.96 88.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 0.729 . . . . 0.0 109.598 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.2 t -67.42 -33.44 75.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.9 mt -77.36 -36.75 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.63 -9.81 4.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.576 HD11 ' CH2' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 32.1 m-85 -122.52 170.5 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 210' ' ' PHE . 49.1 m170 -42.58 130.74 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.538 -168.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 88.2 p -87.64 176.62 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.08 148.85 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 61.9 p -101.23 -22.49 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.19 -12.2 58.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.67 159.89 32.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 197' ' ' LEU . 0.1 OUTLIER -83.78 -21.3 32.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 178.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.96 -21.32 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.508 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.7 t80 -54.43 133.06 62.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.508 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.06 62.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 133.87 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -53.87 151.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -156.9 123.76 5.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.6 t -116.18 175.59 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 227' ' ' THR . 20.6 tp -155.83 139.65 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 226' ' ' LEU . 71.1 p -34.69 -63.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.401 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.3 122.92 45.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -71.91 -18.09 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -174.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -6.32 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 229' ' ' LEU . 66.9 mtt-85 -106.41 -6.03 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -62.43 142.76 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -177.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -158.68 147.52 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.246 176.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.429 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 18.5 mt -67.44 122.41 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.4 p -61.86 171.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -31.8 69.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -56.99 -47.3 81.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.69 -50.45 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.438 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.9 mp -64.14 -37.42 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.27 -44.97 68.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.74 -53.14 4.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.438 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.49 -45.13 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 -174.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -26.57 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.8 m -72.73 -28.57 62.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.971 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.7 -17.7 47.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -143.12 -87.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 111.043 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.97 110.86 3.1 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 171.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 110.966 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.86 34.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.089 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -140.9 135.24 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.39 172.07 0.3 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 110.969 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 171.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.74 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 mt 67.04 98.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.264 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.17 16.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.978 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 180.0 121.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.402 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 92.0 m95 -58.13 143.11 45.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.005 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -88.07 0.37 56.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.19 142.72 50.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -84.89 -33.76 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -74.24 88.93 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.573 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.96 156.43 16.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.83 152.28 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 174.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -146.05 170.94 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -165.44 143.5 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -101.41 115.36 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 174.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.02 -41.29 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -152.62 171.27 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -124.58 -178.49 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.19 143.19 27.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.974 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -48.86 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.6 157.43 33.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 164.91 32.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 110.958 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -60.57 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.16 -36.12 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.23 86.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.356 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.47 -54.46 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -32.97 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.5 t -58.94 -45.3 90.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.97 64.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 35.4 t -74.96 -56.43 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.48 -30.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 22.1 mttm -89.7 -48.9 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -175.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.6 -42.59 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 59.3 mt -60.43 -55.13 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.37 -34.93 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -33.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.418 ' CZ3' HD11 ' A' ' 234' ' ' LEU . 87.6 m95 -91.84 -31.5 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 108.079 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.43 -24.32 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.72 -19.3 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.57 17.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.3 p -144.65 159.78 49.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 170.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.57 20.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 174.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 246' ' ' TYR . 77.1 mt -63.8 157.41 24.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -169.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 p -134.32 161.84 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -134.34 136.48 43.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -124.55 155.2 39.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.956 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.84 143.09 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.314 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.94 105.85 8.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -48.22 -31.27 5.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 111.069 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.31 148.98 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 172.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.02 -162.63 28.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.61 48.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.0 148.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -62.81 -51.55 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mt -101.71 92.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 11.9 mtp -92.66 86.75 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.99 137.1 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m -146.54 161.81 39.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.391 1.057 . . . . 0.0 109.967 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -119.25 149.72 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.75 144.08 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.16 166.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 43.97 -164.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -53.67 121.65 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -119.82 48.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.633 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.6 61.79 6.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.562 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.4 OUTLIER -174.53 177.24 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 0.716 . . . . 0.0 109.309 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.3 t80 -83.22 -4.32 58.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 -170.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.42 89.16 20.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 177.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.3 4.86 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 110.959 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.36 -154.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.474 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 162' ' ' ASN . 76.6 t -38.05 121.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.38 -39.74 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.68 143.29 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -130.11 164.67 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.599 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -159.59 169.28 24.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -144.8 144.18 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -48.29 171.51 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.412 ' C ' ' HB3' ' A' ' 175' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . 0.562 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.2 m-20 -85.66 151.85 23.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.77 -37.56 3.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -68.7 158.64 33.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.342 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.66 124.36 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -100.85 123.1 44.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.568 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 202' ' ' GLU . 16.7 m-85 -102.69 170.46 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -96.65 132.32 42.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -24.57 14.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.8 50.22 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 186' ' ' TRP . 18.2 tp10 -162.35 143.62 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.97 154.18 42.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 184' ' ' GLU . 94.5 m95 -141.9 155.81 45.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.568 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 20.8 p -140.08 168.74 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.409 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -111.32 29.24 7.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.375 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.61 176.18 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.3 p -74.56 71.72 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.396 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 37.7 p -133.1 -54.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.42 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.568 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -110.58 -134.68 6.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.4 m -79.38 77.05 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -41.85 105.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.76 -55.98 27.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 0.9 OUTLIER -47.3 -48.44 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -177.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -38.16 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.78 -32.95 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -67.03 -45.39 77.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.25 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.08 -58.72 3.12 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 121.079 -1.013 . . . . 0.0 110.898 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.15 -49.44 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 -179.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.4 OUTLIER -52.78 -38.11 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -53.92 -44.13 71.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 75.7 m-70 -60.45 -38.85 85.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.741 . . . . 0.0 109.612 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 70.1 m -71.9 -30.92 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.87 -95.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -159.42 37.06 0.48 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.445 1.091 . . . . 0.0 110.949 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.02 178.11 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.616 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 13.5 m-85 -154.29 -63.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.957 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -151.25 131.04 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 23.3 m -96.33 172.38 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.06 -37.51 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.25 147.84 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.4 t -95.55 -21.95 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.34 -8.26 59.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.86 160.37 31.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 218' ' ' LEU . 0.0 OUTLIER -87.42 -13.46 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 175.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -6.61 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 7.1 t80 -66.02 148.12 98.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.0 Cg_endo -75.03 1.64 7.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.43 1.753 . . . . 0.0 110.966 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.68 139.72 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -58.76 154.96 13.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 170.31 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.546 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.3 t -154.73 172.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.52 151.21 29.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 48.3 m -47.29 -51.93 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.27 122.6 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.99 -19.12 62.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -177.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 17.2 p -61.89 -9.2 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.41 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -113.1 -6.88 13.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 3.6 t80 -52.75 153.0 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.2 156.05 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.418 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 26.5 mt -77.66 137.28 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.5 m -69.58 155.23 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -34.02 58.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -40.19 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.9 -50.39 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.12 -38.61 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.08 -44.72 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.384 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.88 -50.96 6.1 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.404 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -59.96 -21.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.256 -175.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -87.27 -44.31 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.0 p -52.51 -33.89 47.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.68 -31.23 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.42 ' CE1' HD23 ' A' ' 130' ' ' LEU . 36.2 m-85 -133.7 -94.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.99 119.38 3.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.09 31.93 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.217 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.7 p -139.85 135.32 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.458 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.4 OUTLIER -59.66 170.8 0.97 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 175.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.19 -7.01 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.1 mt 66.58 106.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.798 . . . . 0.0 109.265 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 130.94 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 pttp 177.61 123.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -61.46 159.25 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -89.86 -4.11 57.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.216 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -133.89 160.2 38.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 p -96.23 -33.42 12.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.416 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 76.22 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.671 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.43 157.44 28.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 150.02 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -143.09 172.07 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -165.11 144.75 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.95 119.77 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -79.78 -39.8 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -162.4 173.43 14.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 -172.17 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 110.987 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.91 143.36 28.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.93 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.26 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.52 156.87 35.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.24 35.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 110.963 170.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.1 -59.03 5.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.86 -36.74 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.96 89.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.51 -52.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.242 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.64 -34.65 59.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.2 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.49 -51.51 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -43.82 -35.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 13.6 mttp -82.84 -52.23 6.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -176.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.83 69.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.95 -54.63 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.3 69.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -172.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -32.47 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.93 -31.95 19.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.91 -25.96 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.35 -19.96 55.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.193 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.23 16.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.7 p -144.32 160.1 49.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 171.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.42 20.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.38 153.94 14.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -137.36 134.5 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.41 136.95 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.5 t -125.59 160.96 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.02 145.9 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.4 mt -126.68 139.27 53.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -98.01 -3.73 37.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.55 167.07 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.88 -168.46 54.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.41 1.068 . . . . 0.0 110.996 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.01 112.42 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 110.305 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.99 160.77 27.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.9 -35.48 80.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.21 84.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.08 88.58 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.53 142.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -151.73 164.41 37.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.9 m-85 -121.69 143.72 49.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 175.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.2 143.54 12.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.8 170.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 41.97 -160.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.15 141.68 58.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 27.5 p-80 -153.78 36.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -164.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 126.98 -90.98 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 2.4 t0 -71.47 -165.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.01 75.21 2.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.588 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.64 71.9 4.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.559 1.82 . . . . 0.0 111.014 -170.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 163' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 171.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.57 -156.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 0.815 . . . . 0.0 109.311 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 157' ' ' PHE . 2.6 t -41.12 115.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.83 -40.22 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -167.12 142.52 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -130.55 160.27 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.19 166.44 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -119.35 160.24 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.941 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.448 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -66.02 177.31 0.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 169.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.7 m120 -88.26 169.32 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.02 -38.0 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 156.62 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.43 121.43 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 4.2 m170 -101.63 123.98 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.56 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 15.6 m-85 -101.89 162.8 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.9 135.33 35.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -23.2 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.399 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.78 49.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -161.51 150.98 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 9.1 tp-100 -76.05 155.06 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.438 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.7 m95 -143.86 154.55 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.533 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 17.0 p -138.86 172.6 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -104.02 -17.64 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.25 -177.07 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.6 p -71.66 78.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.4 p -137.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.376 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.533 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -122.11 -132.97 4.19 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.7 m -80.94 76.21 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 0.802 . . . . 0.0 110.359 171.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 193' ' ' THR . 55.9 t-20 -38.79 107.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.12 -56.42 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -172.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 3.5 t80 -49.75 -46.23 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -38.95 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 82.4 t -79.21 -35.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.03 79.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.67 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -49.61 -53.12 25.79 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.068 -1.02 . . . . 0.0 110.762 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 7.9 mm-40 -52.93 -61.73 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.8 -39.84 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.2 -40.86 37.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 59.0 m-70 -66.96 -40.84 87.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 0.808 . . . . 0.0 109.605 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 21.5 m -64.26 -28.72 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.8 mt -81.34 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -163.43 32.66 0.28 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.0 111.011 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.52 169.65 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.278 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.526 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 28.2 m-85 -149.37 -88.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -131.15 106.11 8.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 0.0 109.666 -172.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 18.1 m -74.81 171.92 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.042 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.35 18.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -60.57 147.96 39.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.0 t -97.91 -17.42 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.367 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.88 -4.85 57.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.17 173.42 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.49 -26.16 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 69.8 mmm -75.96 -12.11 60.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 12.5 t80 -55.93 144.34 58.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 176.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -75.05 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -169.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 137.89 32.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -53.88 157.67 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.27 167.24 28.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.652 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -157.57 179.02 9.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 13.8 tp -155.28 151.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 14.9 t -60.88 -26.23 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 106.62 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -67.2 -23.24 65.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -176.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 12.9 t -66.23 -9.31 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -105.76 -5.22 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -46.97 155.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -178.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -157.76 157.09 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.48 126.63 31.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 47.3 t -65.17 166.68 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -64.21 -26.83 68.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.7 -37.74 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.04 -48.96 21.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.16 -42.24 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -49.36 -47.89 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.72 -53.78 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -28.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 0.717 . . . . 0.0 109.305 -173.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -83.8 -35.28 24.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 25.1 p -62.73 -26.79 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.6 mt -86.41 -20.67 27.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -147.93 -88.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 111.003 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.09 118.37 2.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 166.98 27.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.94 30.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.971 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 179.067 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -127.38 133.77 49.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.85 173.29 1.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 175.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.816 . . . . 0.0 111.007 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.18 4.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -173.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 mt 65.72 102.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.99 11.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.345 1.708 . . . . 0.0 110.947 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 174.41 123.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.76 155.28 23.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -88.65 -3.97 58.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -125.89 150.53 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 p -83.65 -38.33 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 110.388 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 108.98 17.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.616 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.17 166.2 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.384 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 151.12 50.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.09 172.14 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -162.41 145.2 11.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.68 116.6 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.06 -40.05 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -159.25 171.57 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -124.61 -171.6 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.86 143.31 28.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -176.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.97 65.6 6.03 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.002 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -160.34 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.78 159.25 29.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 168.09 25.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -59.0 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -38.21 27.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.13 88.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.19 -51.43 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -33.54 61.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -61.84 -42.42 99.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.979 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.3 71.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.39 1.056 . . . . 0.0 109.279 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.69 -51.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -45.68 -30.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 5.9 mtpm? -84.05 -59.41 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.4 -51.81 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -69.33 -24.53 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -172.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.461 ' CE3' HD11 ' A' ' 242' ' ' ILE . 94.1 m95 -84.83 -31.93 23.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 108.044 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.8 -24.51 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -19.19 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.6 m -127.99 15.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -172.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.7 p -147.64 161.63 34.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.473 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 246' ' ' TYR . 82.3 mt -64.31 155.32 32.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -170.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.8 p -131.76 167.33 19.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 171.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -139.08 152.56 47.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.0 m -145.45 152.33 39.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -98.99 151.85 20.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 73.8 mt -129.7 148.27 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -105.59 -5.23 20.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -154.99 171.06 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.99 -158.46 53.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.58 140.38 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.282 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -108.74 163.55 13.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.9 -40.36 97.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.17 88.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.96 88.71 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.67 143.88 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -152.72 163.42 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.076 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -117.83 151.94 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.045 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.12 166.37 29.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.566 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.2 m -134.6 -171.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 170.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.2 ptt85 37.42 -158.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.264 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.2 tm-20 -68.19 100.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 172.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -102.26 43.31 1.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 76.18 41.58 26.19 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.5 OUTLIER -166.36 177.41 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.0 t80 -89.81 -2.42 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -167.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -112.24 96.86 37.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 176.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.566 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.6 m-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.3 -163.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 0.799 . . . . 0.0 109.291 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.1 t -34.82 116.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 171.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.22 -37.29 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 175.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -174.99 141.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -124.77 164.45 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.61 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.54 171.73 19.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -142.14 158.66 43.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -176.238 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -58.67 -179.39 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . 0.534 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -85.6 155.98 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.53 -37.68 2.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.77 164.11 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.314 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -137.68 116.21 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 25.3 m170 -90.31 124.42 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.558 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.86 150.08 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -82.87 111.2 18.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 109.322 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -25.25 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.72 51.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.84 152.29 11.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.228 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 26.8 tt0 -74.59 155.89 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.328 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.403 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 92.6 m95 -141.85 155.93 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.024 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.572 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 29.8 p -139.74 156.54 46.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 175.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -92.21 -20.92 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -115.64 -156.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.6 p -104.28 66.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.1 t -134.21 15.28 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.572 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -174.04 -139.17 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.4 m -85.95 90.24 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.43 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.02 109.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.58 -61.1 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -44.44 -50.25 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . 0.459 ' O ' HD13 ' A' ' 218' ' ' LEU . 2.1 tt -57.69 -33.61 68.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 0.0 109.252 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.21 -33.47 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.89 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.21 89.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.327 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.9 -54.72 41.19 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 121.212 -0.93 . . . . 0.0 110.942 172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -59.39 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 175.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.34 -44.93 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -47.09 27.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -65.39 -41.43 93.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.767 . . . . 0.0 109.622 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.5 m -60.91 -36.72 80.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.67 -72.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.66 48.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 13.4 mt -124.25 165.41 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 0.815 . . . . 0.0 109.281 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 211' ' ' HIS . 57.2 m-85 -155.71 164.73 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.972 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 210' ' ' PHE . 41.0 m170 -42.34 129.7 3.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.563 -169.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 m -100.4 170.36 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.47 -34.59 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.48 146.04 54.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -95.65 -14.62 23.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.14 -11.38 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -85.04 147.71 26.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 197' ' ' LEU . 0.0 OUTLIER -81.06 -8.57 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 178.439 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' A' ' 219' ' ' MET . 8.1 tpp -82.48 -18.44 41.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 54.6 t80 -51.67 140.84 26.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.931 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.09 52.65 3.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 131.44 2.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 172.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -52.05 152.83 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -145.52 167.54 22.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 0.0 109.535 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.5 m -159.96 174.84 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.972 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.1 tp -147.99 149.96 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 9.7 t -52.3 -33.19 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.83 97.86 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -66.78 -24.63 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -173.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -21.63 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -100.87 -4.48 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 2.1 t80 -42.42 154.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.942 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 157.59 34.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.404 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 8.8 mt -81.2 137.31 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 89.7 p -69.93 164.88 22.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -30.35 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -177.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.94 -43.39 86.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.43 -43.55 69.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.614 1.196 . . . . 0.0 109.345 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -51.6 -44.36 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.94 -51.52 5.8 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.461 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -59.52 -26.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 -174.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.28 -40.13 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 m -55.54 -28.86 57.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 110.066 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.73 -32.73 23.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.412 ' CE1' HD23 ' A' ' 130' ' ' LEU . 39.0 m-85 -135.14 -91.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.96 119.74 4.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.89 25.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.98 32.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.167 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.2 p -117.47 135.76 53.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.84 171.44 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 170.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.56 22.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp 57.25 100.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 129.87 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.06 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 pttp 179.0 123.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -74.9 151.58 38.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.182 . . . . 0.0 108.074 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.3 -3.99 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -174.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -135.32 150.58 50.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 p -87.11 -32.22 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -74.25 74.52 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.5 mt -70.96 158.99 35.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.23 150.1 51.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 110.41 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -144.4 174.96 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -162.53 147.71 12.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -105.98 116.95 50.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.27 -40.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -157.31 171.19 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -124.33 -170.14 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -112.81 143.25 28.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.438 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.98 66.79 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 111.027 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -161.67 -48.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.2 mt -102.64 159.42 29.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.73 32.74 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.527 1.804 . . . . 0.0 111.056 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -60.52 -61.93 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -35.03 61.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 -174.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.77 86.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.354 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.16 -54.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.23 -37.0 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.55 -41.6 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.35 -39.14 72.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 5.1 t -74.85 -55.89 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -46.3 -28.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.355 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 115' ' ' SER . 29.3 mtpt -85.94 -52.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.52 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 41.9 mt -62.16 -52.39 64.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -59.01 -36.58 75.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.75 -40.35 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -86.7 -30.76 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 107.962 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.52 -23.34 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.66 -17.68 55.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.88 18.81 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -171.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.3 p -148.79 161.53 32.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.402 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.08 20.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -57.94 155.54 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -171.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -137.26 133.9 35.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.98 154.88 19.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.0 m -152.07 152.39 32.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -100.4 153.85 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.4 mt -127.47 113.03 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -57.56 -24.64 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.99 165.43 36.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.06 -177.61 32.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.93 105.76 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 110.252 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.2 162.37 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.87 -39.56 94.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.9 mt -117.24 86.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.5 89.92 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.67 130.1 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.8 p -149.75 124.85 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.067 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.491 ' CE1' ' CD1' ' A' ' 180' ' ' PHE . 5.4 m-30 -86.27 155.36 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.94 142.34 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 167.73 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 41.76 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.222 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -52.49 137.46 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.757 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 41.7 p-80 -151.58 36.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.543 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.558 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 94.77 -175.64 34.21 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 1.2 t70 42.81 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.384 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.17 69.18 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.757 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -150.05 69.67 9.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 174.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.556 1.819 . . . . 0.0 111.05 -172.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 44.22 -148.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -176.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 162' ' ' ASN . 55.9 t -35.05 117.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 172.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.94 -38.81 11.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 174.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.23 141.87 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -131.62 169.28 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.632 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -156.96 151.48 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.15 147.37 37.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.436 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -58.72 177.22 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.19 164.16 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.48 -10.46 50.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.7 174.22 11.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.86 121.76 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -112.63 124.77 53.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.529 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.491 ' CD1' ' CE1' ' A' ' 146' ' ' PHE . 17.6 m-85 -102.5 172.9 6.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 171.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.74 108.15 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.51 -25.64 57.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.295 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -86.29 52.21 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -162.44 147.85 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.48 154.28 41.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.278 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -144.18 156.15 44.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.543 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 17.6 p -140.78 178.26 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -116.22 21.15 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.8 179.64 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.9 p -77.2 67.44 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 39.1 p -127.46 -46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.543 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -116.2 -131.01 4.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 29.8 m -90.06 95.94 10.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 170.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -52.91 108.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.02 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.23 -49.14 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -177.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.59 -36.22 75.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.06 -28.27 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -71.4 -38.62 71.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.243 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.75 66.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.13 -59.3 2.8 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 121.097 -1.002 . . . . 0.0 110.825 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -53.47 -52.09 60.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.3 OUTLIER -52.35 -38.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -55.64 -37.93 69.94 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -66.93 -36.64 82.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.585 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.6 t -70.32 -35.1 73.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.2 mt -73.06 -54.68 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.18 55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 110.914 171.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.97 149.99 30.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 166.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 211' ' ' HIS . 39.1 m-85 -123.86 -176.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 210' ' ' PHE . 65.1 m170 -40.66 138.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.618 -171.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.9 m -108.31 177.48 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 109.987 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.61 -47.99 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -54.8 148.49 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.212 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' THR . . . . . 0.423 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 11.6 t -94.34 -29.83 14.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.02 -17.72 62.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.14 137.32 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.067 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -13.69 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.327 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.0 tpp -83.51 -7.18 59.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 37.4 t80 -63.93 137.56 97.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -75.0 55.94 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.05 128.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -75.53 144.63 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -169.83 122.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 75.6 m -93.42 134.67 35.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.19 148.84 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.2 t -48.3 -36.71 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -137.13 106.22 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -65.33 -24.32 67.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -175.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.1 t -64.31 -14.61 57.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -103.33 -5.52 22.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 0.2 OUTLIER -45.27 147.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -177.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 146.16 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 176.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.77 139.01 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 3.5 m -77.73 158.62 29.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 110.059 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -31.46 44.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.338 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.12 -42.78 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.386 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.82 -48.74 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.92 -36.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -44.62 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.83 -51.11 5.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -23.23 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -91.94 -34.61 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.2 m -57.06 -30.7 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.02 -22.27 24.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -142.43 -93.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 111.105 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.21 120.29 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.15 31.87 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 179.182 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -125.53 134.24 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -64.47 171.69 2.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 175.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.93 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.85 -11.78 4.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 mt 65.76 102.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.82 11.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.071 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt 172.47 123.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.424 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 98.4 m95 -69.01 150.56 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 107.962 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.74 -4.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.7 154.11 38.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.8 p -94.62 -32.3 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -74.4 80.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.04 161.63 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 151.4 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -144.36 175.17 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.053 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -162.77 146.24 11.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.1 114.94 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.417 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.1 t -78.42 -39.83 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.68 173.28 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.96 -176.64 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -175.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 145.25 30.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 63.04 6.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.84 -48.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.07 157.57 33.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 165.16 31.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -60.72 -62.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.53 -34.11 57.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -174.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.17 83.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 109.243 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.59 -53.73 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -37.95 34.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -54.4 -43.49 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.84 66.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -79.09 -51.24 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.75 -25.53 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' SER . 40.9 mttm -91.55 -52.45 4.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.28 -47.77 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.66 -52.77 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.87 -27.43 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.8 -35.32 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.452 ' CH2' HD13 ' A' ' 209' ' ' LEU . 93.1 m95 -87.02 -28.43 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.078 -175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -51.95 -26.07 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.33 -20.14 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.287 -171.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.14 14.05 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.1 p -149.8 160.31 34.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 168.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.0 mt -57.79 153.88 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -171.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -138.32 134.22 33.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.35 129.86 55.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.9 t -111.99 162.86 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 142.31 34.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.8 112.88 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -70.8 -14.13 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -161.84 166.27 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 99.02 -178.53 30.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -97.53 99.88 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.367 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.38 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.73 -38.92 92.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.94 89.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 3.6 mtt -90.53 88.79 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.96 137.15 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.7 p -148.93 169.68 20.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 110.037 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.3 m-85 -124.61 152.32 43.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 176.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.85 142.75 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.9 164.11 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 42.27 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.16 129.89 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.65 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 46.7 p-80 -139.06 35.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.59 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 95.92 -173.5 30.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 0.8 OUTLIER 43.62 -157.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 175.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.63 71.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.65 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.88 72.6 5.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 176.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.65 -153.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 178.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' ASN . 77.9 t -37.46 122.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.84 -39.51 8.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -164.44 142.53 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -132.33 167.04 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -156.66 153.62 28.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -112.91 153.31 28.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.49 178.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 170.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -87.65 145.11 26.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.49 27.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.581 1.175 . . . . 0.0 110.999 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.99 159.83 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.03 122.15 27.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.288 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -106.26 123.6 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 25.4 m-85 -102.91 170.85 7.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 111.037 174.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -93.29 132.51 37.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.56 -21.89 15.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -88.14 51.41 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.56 152.65 16.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -72.7 155.11 40.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -144.95 156.75 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 107.945 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 20.3 p -140.66 174.68 10.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -115.51 24.33 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -169.08 -176.39 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.3 p -82.24 90.42 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.5 t -159.52 -44.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.403 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -112.54 -132.64 5.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 67.9 m -88.61 83.42 6.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.411 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -44.57 107.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.215 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.36 -54.34 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.437 ' CD2' HD12 ' A' ' 229' ' ' LEU . 0.4 OUTLIER -50.51 -46.68 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -176.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -38.43 63.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 45.0 t -79.4 -30.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.8 -45.65 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.53 67.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -76.19 -59.16 2.88 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.123 -0.986 . . . . 0.0 110.789 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.0 OUTLIER -53.9 -50.79 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.3 OUTLIER -54.37 -39.83 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -178.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.406 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -51.97 -43.88 55.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -63.15 -37.04 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.604 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.7 t -68.45 -43.31 77.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.107 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.47 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.92 50.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.929 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.452 HD13 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.12 165.32 19.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.506 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.7 m-85 -157.05 160.42 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 210' ' ' PHE . 57.1 m170 -35.82 118.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.562 -169.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.9 m -77.34 172.46 13.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.37 27.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -61.99 149.07 41.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -9.73 19.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.72 -4.86 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.74 152.9 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -12.4 60.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -13.0 59.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.963 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.605 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.4 t80 -66.82 139.85 95.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.95 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.605 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.72 132.78 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.66 149.42 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -135.95 172.51 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 51.0 m -163.53 168.58 19.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.2 tp -154.59 155.49 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -37.15 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 110.39 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 129.73 13.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 0.0 109.281 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -81.59 -19.43 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -175.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 5.9 t -61.49 -9.29 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -115.78 -6.09 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -48.51 154.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -156.72 156.45 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.438 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 5.1 mt -82.82 136.58 34.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.207 175.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.8 m -61.93 159.03 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.26 -27.46 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -57.7 -41.72 82.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.41 -45.0 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.448 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.8 mp -66.81 -37.73 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -44.78 63.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.7 -56.2 3.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.901 -175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.448 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.3 OUTLIER -54.61 -46.21 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -175.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -26.11 60.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 10.7 t -71.72 -33.1 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 7.0 mt -78.33 -16.7 57.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.424 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 39.8 m-85 -143.34 -89.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.11 115.57 3.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.567 1.825 . . . . 0.0 111.022 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.134 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.6 p -130.76 -109.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.98 168.42 0.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 111.059 -178.375 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.95 85.28 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.407 1.74 . . . . 0.0 111.014 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.26 -6.49 6.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.8 mt 67.01 116.51 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.599 0.823 . . . . 0.0 109.264 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.13 11.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 174.8 123.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.33 159.2 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 107.968 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.1 -3.9 58.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -134.1 156.74 47.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 p -90.81 -33.99 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.05 83.01 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.4 mt -83.84 158.98 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.19 152.5 44.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -145.31 169.52 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -167.09 140.76 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.47 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.55 113.7 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 174.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.68 -39.97 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.05 169.57 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -121.76 -179.26 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -107.43 141.88 23.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.92 69.02 5.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -163.56 -48.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.0 mt -99.37 157.53 33.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 163.91 34.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.71 -57.86 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -173.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 115' ' ' SER . 4.5 t70 -51.23 -39.02 55.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.11 91.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.13 -53.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -52.56 -33.69 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -64.91 -43.44 92.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.013 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.14 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.37 -51.81 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.67 -28.59 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 115' ' ' SER . 26.5 mttp -91.95 -47.66 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -175.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.4 -49.19 77.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.88 -53.86 49.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -61.38 -33.67 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.355 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.38 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.53 ' CH2' HD11 ' A' ' 209' ' ' LEU . 93.7 m95 -90.57 -31.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.99 -24.78 17.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.02 -18.57 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.79 17.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -173.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.0 p -145.71 159.05 48.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 171.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.78 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.8 mt -57.47 152.22 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 -171.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.79 134.98 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 173.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.9 134.54 51.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 110.976 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 m -123.25 144.78 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.09 153.55 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.3 mt -132.82 146.75 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -98.64 -9.09 25.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -155.5 174.65 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.22 52.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.34 104.76 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.268 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.37 158.35 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.72 -36.95 85.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.3 mt -117.14 85.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.85 91.15 7.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.3 149.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.9 t -155.5 161.44 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -117.88 134.27 55.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.65 167.02 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -174.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -132.21 -177.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 165.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 148' ' ' VAL . 9.5 ptm180 36.52 -157.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 177.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.455 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 0.8 OUTLIER -65.74 102.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 176.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.61 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 22.3 p-80 -105.14 -5.97 20.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.652 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.12 -87.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.487 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.28 -166.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.355 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -99.02 77.07 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.61 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.77 64.16 2.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -176.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.74 22.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -169.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 181' ' ' ASP . 10.2 m-30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 44.27 -148.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 0.812 . . . . 0.0 109.314 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.3 t -33.62 109.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 173.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.0 -34.9 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.62 143.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.482 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.0 OUTLIER -118.93 167.2 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 176.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.83 172.14 18.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -127.64 167.32 16.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.427 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -67.3 173.95 2.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.062 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.13 165.13 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.9 -38.14 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 162.52 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.05 112.02 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -97.15 123.97 41.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -97.41 151.6 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.538 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 9.6 t70 -78.14 103.29 7.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.62 -24.78 56.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.12 50.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -168.71 147.55 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 52.9 tp60 -71.2 153.68 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.504 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 94.8 m95 -135.46 157.96 45.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.07 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.588 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.7 p -139.92 172.72 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -115.98 27.84 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -171.38 179.38 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.3 p -79.54 86.76 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.38 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.8 t -155.99 -42.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.376 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.588 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -116.97 -139.06 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 173.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 69.1 m -81.09 80.02 7.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.449 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.5 108.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.06 -55.69 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 -172.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.01 -42.59 49.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -38.24 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.64 -37.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.44 77.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.0 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.45 -53.03 9.35 Favored 'General case' 0 N--CA 1.514 2.751 0 O-C-N 121.153 -0.967 . . . . 0.0 110.851 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -51.7 52.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.91 -40.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.25 37.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 73.2 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.576 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.7 m -63.65 -29.7 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.936 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.16 -98.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -158.35 33.16 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.53 HD11 ' CH2' ' A' ' 124' ' ' TRP . 15.4 mt -120.58 173.62 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 15.7 m-85 -152.89 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 40.7 m170 -148.35 126.49 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -174.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 63.1 p -90.92 176.65 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.77 12.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.25 147.43 51.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' THR . . . . . 0.411 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 7.1 t -95.34 -15.84 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.419 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.14 -16.07 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -78.64 155.88 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 218' ' ' LEU . 0.0 OUTLIER -82.75 -13.58 56.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 7.9 tpt -81.92 -8.46 59.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.996 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.482 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 38.0 t80 -72.38 144.77 87.14 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.046 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.96 59.78 5.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -167.36 134.48 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -75.3 151.72 38.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.06 124.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 58.4 m -97.26 134.92 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 tp -86.34 155.09 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 12.0 t -54.99 -28.82 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.428 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . 0.424 ' OD2' ' NH1' ' A' ' 231' ' ' ARG . 0.0 OUTLIER -148.66 131.55 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 176.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.463 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -104.39 -19.18 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -175.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 8.0 t -60.94 -11.49 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . 0.424 ' NH1' ' OD2' ' A' ' 228' ' ' ASP . 0.1 OUTLIER -121.54 -5.54 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -38.52 149.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -176.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -153.09 150.02 28.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.404 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 10.6 mt -71.69 139.58 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 43.6 m -69.31 156.94 37.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -33.7 54.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -52.39 -43.09 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.6 -44.48 57.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.6 -35.92 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -50.47 58.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -50.84 6.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -28.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 -174.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -88.17 -35.33 17.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.1 t -57.94 -30.68 66.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.6 mt -91.26 -15.91 28.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.91 -89.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.07 122.29 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.571 1.827 . . . . 0.0 110.976 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.212 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -133.95 134.96 43.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.2 OUTLIER -60.56 170.29 1.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 176.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 96.74 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 -8.77 6.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.421 1.075 . . . . 0.0 111.014 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 58.9 mt 67.13 106.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 129.72 12.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 pttp 176.97 124.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -67.94 155.56 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -86.08 -3.33 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CD ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.45 150.25 50.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -178.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 p -87.57 -30.37 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.601 1.188 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -76.52 92.39 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.612 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.449 HD22 ' CD ' ' A' ' 94' ' ' LYS . 51.2 mt -92.28 147.47 22.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.71 149.38 49.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.401 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 39.1 p90 -143.98 170.49 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.7 ttt-85 -165.51 138.84 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -99.62 115.99 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.34 -39.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 -170.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -141.12 167.22 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.72 -177.85 4.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.53 145.02 32.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -176.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 67.61 5.94 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.32 -47.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.52 158.56 31.55 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.7 24.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -61.87 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -170.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -28.27 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.12 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.47 -55.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.96 -34.1 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.89 -43.97 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.46 64.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 26.8 t -80.28 -49.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.8 -29.67 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 7.3 mttp -92.86 -49.36 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -174.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.12 74.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.441 HD23 ' CE1' ' A' ' 132' ' ' PHE . 89.1 mt -57.07 -53.94 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.87 74.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.37 -32.68 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.472 ' CH2' HD13 ' A' ' 209' ' ' LEU . 91.5 m95 -91.29 -31.52 16.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 108.032 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.57 -24.76 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.58 -18.88 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.2 m -129.52 16.5 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 49.4 p -146.48 160.79 40.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -8.91 20.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.11 155.94 7.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -131.06 159.11 38.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 121' ' ' LEU . 90.7 m-85 -136.8 142.3 42.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 111.019 -174.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.5 m -138.18 146.97 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.59 147.55 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.11 129.46 43.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -87.73 -10.3 51.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -159.73 170.85 20.63 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.16 174.9 49.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.67 101.09 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.97 164.0 27.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.51 -38.19 90.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.377 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 92.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.223 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 mtt -91.64 85.2 5.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.78 122.42 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 m -143.32 126.71 16.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.5 m-30 -84.57 164.16 18.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.973 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.7 143.47 5.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.4 m -101.92 152.5 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 53.33 -176.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.5 122.16 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -122.02 11.18 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 -171.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.6 64.43 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD2' ' CE1' ' A' ' 155' ' ' TYR . 19.0 t0 -174.81 -179.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -65.61 -19.29 65.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -114.58 96.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 136.13 19.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 163' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.012 172.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.41 -153.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -36.43 118.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 175.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -39.74 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.31 142.51 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.454 ' NE2' ' HB2' ' A' ' 179' ' ' HIS . 0.8 OUTLIER -125.03 159.85 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.574 177.164 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 202' ' ' GLU . . . -157.16 154.94 30.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -131.49 152.35 50.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 -168.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.28 172.54 0.74 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.519 1.8 . . . . 0.0 111.049 -177.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . 0.44 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.91 165.53 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.64 -36.58 3.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.69 168.77 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.84 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.493 ' CE1' ' HH ' ' A' ' 168' ' ' TYR . 19.8 m170 -112.69 137.13 51.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 0.0 109.615 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.506 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.0 m-85 -103.43 177.16 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 170.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -92.98 104.69 16.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.95 -23.11 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.34 49.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.25 151.28 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.44 154.28 38.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -143.04 154.79 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.556 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 17.1 p -137.88 170.63 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -110.09 18.01 20.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.87 176.48 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.1 p -73.95 74.16 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -135.98 -54.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.461 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.556 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -107.62 -131.91 6.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 176.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 77.3 m -85.12 82.53 8.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.417 169.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -43.66 107.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.77 -54.01 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 -173.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -50.74 -46.38 59.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 111.07 -176.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -37.55 68.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 -31.48 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -69.6 -46.95 65.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.68 -23.03 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.264 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -75.79 -60.7 2.2 Favored 'General case' 0 N--CA 1.514 2.744 0 O-C-N 121.176 -0.953 . . . . 0.0 110.826 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.2 pp20? -53.39 -50.43 65.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.297 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.5 OUTLIER -52.63 -39.15 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.488 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.446 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -50.65 -46.37 47.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -64.88 -39.43 93.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.804 . . . . 0.0 109.591 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 15.3 t -61.0 -39.58 90.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.76 -67.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.247 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 162.43 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.472 HD13 ' CH2' ' A' ' 124' ' ' TRP . 10.7 mt -119.53 170.11 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 211' ' ' HIS . 78.0 m-85 -158.36 162.41 37.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -38.95 118.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.6 m -74.76 -92.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 173.12 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.21 149.3 33.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.37 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.2 t -89.05 -19.29 25.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.41 -16.72 57.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.252 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -82.66 139.34 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 5.3 tpt -71.75 -13.92 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.1 t80 -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.99 61.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.36 132.77 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -69.54 145.4 52.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -168.06 123.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.581 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 39.4 m -105.8 167.07 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 23.9 tp -125.13 155.34 40.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.5 p -46.23 -45.05 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.7 122.45 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.373 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -69.7 -20.05 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -176.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 11.5 t -61.75 -8.32 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -112.3 -6.47 14.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.387 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 4.5 t80 -54.6 153.13 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -157.96 157.48 33.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.401 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 10.0 mt -84.11 134.72 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 173.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 49.0 m -63.93 156.8 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -54.76 -28.2 46.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.44 -42.93 74.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -74.17 -46.52 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.36 -41.32 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -50.85 -45.98 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.21 -52.78 5.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.52 -26.26 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -87.31 -35.92 18.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.233 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 46.5 t -59.57 -26.11 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.92 -19.49 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.39 -90.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.74 118.51 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.97 28.1 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.05 31.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.0 p -134.41 135.29 42.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.32 170.92 0.84 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.39 -8.35 5.93 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt 66.84 105.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.24 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.794 . . . . 0.0 111.013 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.4 pttt 177.53 123.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -64.58 151.26 45.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.27 -3.67 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.467 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.82 155.44 50.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.077 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -88.92 -30.4 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -74.09 84.17 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.566 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.65 150.11 25.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.13 148.12 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.373 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -142.45 168.07 20.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 111.065 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -167.58 133.6 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -93.55 117.94 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.25 -41.88 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -156.03 169.72 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.51 -171.85 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 111.03 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -115.52 142.95 29.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 -177.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.02 67.72 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -162.85 -47.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.9 mt -103.43 159.72 28.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.54 31.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -64.12 -57.93 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.18 -35.69 62.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.91 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.32 -53.35 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.98 -33.51 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.14 54.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -43.15 -34.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 196' ' ' PHE . 11.0 mttp -90.39 -52.95 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.52 -42.99 67.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.06 -53.51 57.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.38 -35.69 74.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -30.6 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.527 ' CH2' HD11 ' A' ' 209' ' ' LEU . 96.2 m95 -93.08 -31.01 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 107.93 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.89 -23.68 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.2 -18.58 60.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.3 m -130.78 17.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.5 p -145.65 159.57 47.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.385 170.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.32 21.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 82.2 mt -56.1 155.4 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.9 p -134.12 133.94 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.39 132.11 54.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -171.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -124.95 163.1 23.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -114.26 153.09 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -131.93 130.39 41.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -81.83 -9.07 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -152.09 173.22 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.31 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.14 -168.37 54.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -109.98 108.02 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.95 159.69 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.587 1.18 . . . . 0.0 109.364 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.467 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.68 -39.81 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -177.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.9 mt -115.94 83.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.19 86.2 6.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.27 148.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -155.38 157.15 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.946 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -114.93 129.37 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.446 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . . . -141.66 171.61 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -174.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.563 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 5.4 m -142.66 179.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 32.75 -144.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 175.118 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.8 94.57 0.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.446 ' CG ' ' HB2' ' A' ' 147' ' ' ALA . 35.4 p-80 -105.18 44.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.639 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 65.8 62.62 4.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 8.5 p-10 -172.37 -174.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -172.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.7 t80 -112.45 -4.51 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.055 . . . . 0.0 111.001 -176.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.62 86.68 15.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.6 32.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.564 ' CZ ' ' CE1' ' A' ' 166' ' ' HIS . 11.1 m-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 44.92 -149.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 162' ' ' ASN . 10.6 t -34.09 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -31.26 13.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 173.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.469 ' HB2' ' CD ' ' A' ' 202' ' ' GLU . . . -176.28 142.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.564 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.3 p-80 -117.53 163.85 15.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -160.26 168.94 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 163.55 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.54 177.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.08 0 O-C-N 124.568 1.825 . . . . 0.0 110.983 176.765 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.08 164.7 15.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.05 -37.36 2.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -74.3 148.81 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -121.83 115.07 21.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -92.89 121.99 34.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.45 ' CE2' ' OE1' ' A' ' 202' ' ' GLU . 29.8 m-85 -90.16 148.92 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 171.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.55 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.8 t0 -82.18 101.32 10.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -23.35 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.82 48.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -165.5 158.19 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 45.7 tt0 -74.18 157.04 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 82.2 m95 -146.83 156.41 43.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.038 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.574 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.3 p -139.74 175.83 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 172.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -109.42 18.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -163.4 -166.34 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.9 p -89.09 63.16 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 -176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.2 t -137.58 17.54 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.473 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.574 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -179.72 -144.48 5.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 36.8 m -81.55 80.8 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 0.723 . . . . 0.0 110.397 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -49.21 115.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.51 -52.25 41.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.0 OUTLIER -51.56 -35.28 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 -176.072 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -81.66 -31.06 32.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.236 -172.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.8 t -76.11 -33.68 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.27 84.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -53.35 -50.9 64.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -50.31 -58.71 5.04 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 121.136 -0.977 . . . . 0.0 110.872 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.469 ' CD ' ' HB2' ' A' ' 165' ' ' ALA . 4.4 mt-10 -48.18 -60.51 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.239 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.3 mp -47.44 -43.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -46.81 -51.17 13.5 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -62.67 -42.13 99.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.63 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 14.8 t -58.26 -38.59 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.14 -73.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.211 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.04 41.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.527 HD11 ' CH2' ' A' ' 124' ' ' TRP . 9.1 mt -114.0 168.84 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 58.4 m-85 -159.77 165.79 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -45.79 122.8 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 77.4 p -82.74 167.04 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.59 -26.03 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.2 147.09 46.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -100.91 -12.47 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.57 -24.54 56.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.15 161.46 26.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -9.65 46.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.33 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.7 tpt -74.44 -27.03 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.601 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 65.7 t80 -46.93 140.55 6.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.601 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.94 60.64 5.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.569 1.826 . . . . 0.0 111.021 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.36 133.72 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -50.27 151.01 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -142.08 123.8 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.581 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.16 150.32 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 44.0 tp -140.36 137.62 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -40.71 -61.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.66 100.22 10.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -66.34 -19.49 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -177.069 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -5.88 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 229' ' ' LEU . 79.2 mtt180 -109.89 -5.49 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.506 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -64.5 143.41 57.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.006 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -157.22 156.89 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.446 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 16.2 mt -73.78 130.15 39.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 68.0 m -68.2 160.31 29.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.981 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -53.69 -33.29 54.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.57 -42.03 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -72.25 -42.04 66.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.433 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.6 mp -67.57 -36.81 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -177.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -44.28 73.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.21 -54.99 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.431 1.082 . . . . 0.0 110.981 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.433 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.41 -46.21 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -175.159 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.12 -26.15 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.2 t -72.0 -30.82 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.581 1.176 . . . . 0.0 110.055 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 3.6 mt -81.2 -18.4 46.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -139.27 -87.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.08 109.62 2.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.55 26.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.426 1.751 . . . . 0.0 110.998 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 165.43 31.38 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.094 179.099 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -125.1 135.46 52.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -76.25 176.07 3.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.917 174.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.96 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.71 -13.76 5.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.3 mt 62.15 105.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.0 126.43 9.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.9 ptpt 170.25 123.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -67.21 167.5 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.16 . . . . 0.0 107.959 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -95.67 -2.58 47.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -129.56 151.86 49.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 p -86.52 -39.43 16.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -77.87 91.44 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.07 . . . . 0.0 109.591 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.46 167.1 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.01 149.92 52.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -141.81 173.75 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -166.15 140.31 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.82 115.87 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.31 -40.53 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -159.75 172.93 16.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.29 -175.22 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.58 144.04 28.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 -177.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -74.97 68.87 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -164.56 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -97.53 158.41 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.84 34.46 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.06 -58.5 7.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 -174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 -36.47 53.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.21 89.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.73 -52.65 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.37 -36.02 52.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -63.68 -40.6 97.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -177.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.61 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 7.8 t -72.21 -58.59 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 176.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.19 -33.17 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' SER . 14.5 mtpp -79.32 -49.23 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -178.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.15 -36.19 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 15.9 mt -66.95 -51.82 50.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.208 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -58.96 -38.04 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.16 -39.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.461 ' CE3' HD11 ' A' ' 242' ' ' ILE . 90.7 m95 -89.61 -32.58 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -176.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -54.68 -22.5 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.85 -19.92 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.24 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.7 m -128.98 17.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.1 p -144.8 160.58 46.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 170.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.449 HD23 ' CZ ' ' A' ' 246' ' ' TYR . 70.2 mt -61.78 155.94 21.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -131.75 165.04 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 171.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -137.03 125.59 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.5 t -108.34 162.13 14.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.07 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -105.7 147.81 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.21 140.29 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -105.97 -3.3 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -154.63 168.6 26.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.26 -168.48 54.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -108.99 111.44 23.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.257 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.35 160.62 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.31 -36.34 83.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.04 84.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.54 86.01 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.14 139.77 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 m -148.16 161.72 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.928 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.26 148.22 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 172.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.58 167.11 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.582 ' O ' ' C ' ' A' ' 149' ' ' ARG . 1.5 m -141.56 -174.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 174.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.582 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 26.48 -99.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 171.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -95.96 121.69 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.443 ' NE2' ' OD2' ' A' ' 153' ' ' ASP . 33.3 p-80 -156.32 32.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 174.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 83.12 -165.75 43.64 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.623 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.8 p30 48.97 -169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 0.803 . . . . 0.0 109.312 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -128.09 22.09 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -172.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.623 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.33 96.11 25.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 165.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.61 ' CE1' ' CE1' ' A' ' 166' ' ' HIS . 4.9 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 43.96 -148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.361 175.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.5 t -34.1 110.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.01 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.32 145.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.61 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -120.38 161.94 20.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.26 36.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.85 161.3 35.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 -174.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -62.52 178.27 0.35 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.229 0 O-C-N 124.509 1.794 . . . . 0.0 111.076 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.3 m-20 -88.37 167.4 13.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.3 -38.86 2.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.37 160.19 29.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 0.725 . . . . 0.0 109.232 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.66 115.28 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.474 ' HB2' ' NE2' ' A' ' 166' ' ' HIS . 4.4 m170 -91.0 124.96 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.55 149.92 22.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.943 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 47.4 t0 -78.09 104.12 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . 0.403 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -73.23 -24.46 60.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 176.744 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 49.4 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 176.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.33 153.26 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 61.1 tp60 -74.54 156.24 37.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.4 m95 -143.91 156.69 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.585 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 26.1 p -139.35 171.96 13.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -108.2 7.0 27.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -175.22 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 26.7 p -77.2 61.54 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 38.8 p -131.01 9.34 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.585 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 179.32 -138.98 3.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 97.3 m -81.18 77.67 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.419 172.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -41.63 105.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.04 -54.87 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.255 -171.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.41 -49.26 25.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -38.53 53.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.22 -35.73 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.14 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.93 86.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 -56.24 24.8 Favored 'General case' 0 N--CA 1.515 2.789 0 O-C-N 121.205 -0.934 . . . . 0.0 110.819 173.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -52.19 60.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -39.31 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.221 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.43 -46.18 29.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 111.073 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -68.14 -41.44 81.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 0.813 . . . . 0.0 109.594 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -61.19 -34.7 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 -70.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 166.38 57.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.439 HD13 ' CH2' ' A' ' 124' ' ' TRP . 51.4 mt -139.73 154.68 47.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 0.715 . . . . 0.0 109.323 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 211' ' ' HIS . 46.3 m-85 -143.03 165.37 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 210' ' ' PHE . 60.5 m170 -39.49 126.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.597 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 33.5 m -97.16 174.45 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -87.51 -41.64 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.87 147.29 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.3 t -94.31 -22.83 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -65.43 -24.89 67.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.73 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.331 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' MET . . . . . 0.45 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.4 tpp -75.48 -21.83 57.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 176.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 36.0 t80 -49.68 138.35 17.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 176.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.94 57.23 4.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.081 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.96 132.46 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -74.49 142.76 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.23 123.94 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 55.5 p -97.92 -179.32 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.2 tp -142.96 151.79 41.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.9 p -45.97 -44.98 15.39 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.072 . . . . 0.0 110.432 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.17 98.97 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.62 -22.64 67.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -176.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.7 p -74.89 -5.1 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -106.49 -5.05 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.66 153.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.6 152.11 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 12.4 mt -72.57 149.02 44.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 78.2 p -84.98 167.41 15.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -57.68 -33.03 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -45.7 66.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.95 -48.83 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.54 -38.42 82.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.65 -47.2 67.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.46 -49.93 7.76 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.461 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -60.0 -24.58 30.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 0.738 . . . . 0.0 109.338 -175.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.51 -45.22 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.9 t -53.8 -28.91 37.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 14.9 mt -82.56 -32.69 28.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.449 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 2.8 m-85 -140.97 -83.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 88.99 122.68 2.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.98 28.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.76 . . . . 0.0 111.068 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.223 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 p -132.52 -109.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.417 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.646 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 177.61 167.59 0.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -177.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.646 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.0 85.07 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.013 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.83 6.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -173.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt 66.96 118.35 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.5 Cg_endo -74.9 126.81 10.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 49.5 pttt 172.73 123.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -65.65 164.36 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -87.66 -3.95 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -172.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 161.43 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.303 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 p -86.25 -29.91 22.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -85.4 102.79 13.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.92 161.63 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -176.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.87 159.6 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -150.92 169.22 22.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -166.31 129.67 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -90.63 111.88 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.21 -42.18 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -173.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -151.9 168.51 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -116.1 -177.28 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -113.92 142.05 27.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.382 -178.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.85 66.79 5.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.021 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -161.6 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.1 158.58 31.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 110.99 172.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -64.28 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.173 . . . . 0.0 109.368 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 115' ' ' SER . 0.0 OUTLIER -47.28 -39.42 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -178.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.44 98.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.09 -55.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -54.95 -33.17 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' ASP . 5.8 t -62.13 -50.09 73.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -38.13 31.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.55 -51.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -49.11 -28.33 4.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.4 mttm -89.67 -50.81 5.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -177.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.68 74.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -56.71 -55.19 37.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -62.32 -30.8 71.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -32.77 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.541 ' CH2' HD13 ' A' ' 209' ' ' LEU . 94.9 m95 -89.69 -28.22 19.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 108.02 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.19 -24.26 17.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 110.26 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.72 -19.23 52.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.4 17.89 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -174.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.7 p -145.12 158.35 52.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.15 19.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 173.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.425 HD23 ' CZ ' ' A' ' 246' ' ' TYR . 31.0 mt -66.44 154.21 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -128.98 167.86 16.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 171.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.06 154.43 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.7 m -155.61 145.11 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -96.91 153.33 17.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.24 154.4 46.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -103.14 -4.19 24.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.51 167.96 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.26 -173.84 54.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -106.55 103.18 12.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.78 163.78 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.01 -46.1 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.3 mt -113.93 91.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -92.15 116.21 28.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.18 140.48 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.35 164.1 38.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.6 m-85 -122.17 147.55 46.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.82 143.19 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.15 157.1 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 169.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 49.93 -166.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.343 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.76 144.02 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.662 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 50.8 p-80 -160.66 36.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.643 -163.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 124.28 -94.34 0.48 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -70.95 -173.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.3 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.0 t80 -90.97 80.97 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -157.56 78.64 3.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.07 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.44 4.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 177.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 49.31 -157.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 109.245 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 57.4 t -37.54 116.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.21 -26.02 19.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 175.5 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -173.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.409 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 11.5 p-80 -145.11 170.28 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.618 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -149.62 172.33 15.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -122.26 158.18 30.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -52.29 166.17 0.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.114 0 O-C-N 124.573 1.828 . . . . 0.0 110.994 -170.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.76 159.76 19.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.48 -37.24 2.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.18 146.67 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.242 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -112.47 117.78 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -98.37 130.9 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.534 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 21.8 m-85 -116.49 157.38 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 175.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -77.96 138.87 39.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -25.46 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.38 -25.03 59.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.02 151.55 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.9 155.76 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -139.79 155.91 47.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 108.008 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.6 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 38.2 p -141.54 161.78 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -99.83 14.69 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -163.06 -172.92 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.1 p -85.14 55.61 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 11.0 t -127.34 5.14 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.6 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -156.78 -143.55 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.057 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 194' ' ' ASN . 93.1 m -88.7 71.06 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.409 169.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 193' ' ' THR . 21.9 t-20 -34.91 113.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.52 -41.67 98.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -173.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -61.6 -39.74 92.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -174.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -38.2 87.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.36 -32.76 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.5 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.62 91.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . 0.437 ' NE2' ' NE2' ' A' ' 205' ' ' HIS . 68.5 t60 -58.23 -56.24 24.56 Favored 'General case' 0 N--CA 1.514 2.758 0 O-C-N 121.195 -0.941 . . . . 0.0 110.898 175.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.83 9.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -48.58 -42.03 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.9 -47.41 79.6 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.437 ' NE2' ' NE2' ' A' ' 201' ' ' HIS . 56.5 m-70 -62.19 -34.66 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.588 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.1 m -70.65 -39.05 73.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.67 -67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 163.14 45.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.541 HD13 ' CH2' ' A' ' 124' ' ' TRP . 10.9 mt -121.16 168.64 11.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 0.713 . . . . 0.0 109.358 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 40.8 m-85 -159.18 171.54 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -46.14 122.68 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 32.0 m -84.75 174.17 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.963 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.63 -39.48 16.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . 0.419 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 8.4 t30 -59.43 146.5 39.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -99.42 -9.8 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.68 -4.73 40.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.88 159.53 24.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.203 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -21.99 34.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 5.9 tpt -72.64 -15.07 61.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 11.6 t80 -59.15 145.26 81.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -16.73 20.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.002 -170.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 140.33 31.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -57.24 153.95 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -161.24 122.69 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.613 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 92.2 p -114.56 173.21 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.8 tp -140.26 147.29 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 6.4 t -47.35 -37.64 11.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.49 104.11 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -67.07 -17.49 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -174.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.6 t -61.51 -9.34 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -111.34 -6.13 14.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.2 OUTLIER -48.1 145.9 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.2 mtm180 -154.72 151.33 28.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 176.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.434 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 15.9 mt -69.31 138.99 54.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 42.7 t -77.46 168.57 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.47 -28.06 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.253 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.92 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.26 -47.77 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.417 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.8 mp -65.11 -35.35 75.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -49.16 -46.22 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.03 -53.96 4.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.9 OUTLIER -54.8 -45.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -174.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.8 m -71.37 -27.11 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.56 -16.32 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.425 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 3.7 m-85 -153.57 -82.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 84.64 126.27 1.45 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.452 1.095 . . . . 0.0 110.939 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.81 28.41 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.99 8.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 178.135 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -127.39 134.0 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.95 171.87 0.81 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.14 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.749 . . . . 0.0 110.997 175.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.9 -11.66 3.65 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -173.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mt 66.17 99.54 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 110.949 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt 177.15 123.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -59.77 152.67 22.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.047 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -90.74 -4.25 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -123.8 151.93 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 p -91.35 -31.72 15.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -74.89 76.52 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.627 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.53 158.14 32.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.34 145.72 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.37 169.7 17.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -95.57 116.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -40.73 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.18 168.48 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.55 -177.97 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -113.29 141.11 25.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 -177.337 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 69.46 5.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.94 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.6 mt -100.81 159.41 29.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 170.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -60.42 -60.8 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.62 -36.56 62.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -175.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.33 -56.01 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -51.38 -33.98 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.4 t -60.18 -46.29 90.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.77 -33.1 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.42 -52.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -26.78 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 173.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 45.7 mtpt -90.11 -53.17 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -175.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.31 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.88 -52.9 58.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -30.77 71.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -174.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.92 -35.34 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.482 ' CE3' HD12 ' A' ' 242' ' ' ILE . 98.0 m95 -86.74 -33.17 20.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -52.01 -27.49 13.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.46 -18.38 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.72 16.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -170.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.6 p -151.64 162.84 25.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.426 169.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -7.52 19.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 110.937 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.9 mt -59.64 154.51 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.227 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -136.74 134.53 37.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.75 137.18 47.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -126.9 164.11 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -113.35 153.16 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -132.76 135.29 45.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -89.18 -5.08 57.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.88 176.86 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.78 -149.84 31.99 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.15 100.54 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.793 . . . . 0.0 110.302 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.17 156.09 38.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -36.34 83.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.5 mt -118.47 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.6 mtt -91.15 90.29 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.2 149.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -155.09 158.64 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 23.5 m-85 -122.46 130.32 52.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.56 169.01 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.519 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.9 m -134.21 -169.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 170.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 38.51 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.18 103.2 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.497 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 37.7 p-80 -103.87 50.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 -176.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 67.87 63.53 3.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.726 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 4.9 p-10 -178.84 -170.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 -171.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.4 OUTLIER -125.3 14.73 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.726 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -114.28 93.54 31.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 167.055 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.13 31.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.519 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.3 m-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 44.78 -152.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.0 t -38.11 115.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.44 -37.18 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.91 144.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -122.69 167.34 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.28 173.0 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.503 ' OH ' ' CE2' ' A' ' 155' ' ' TYR . 26.1 m-85 -143.01 159.59 41.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -175.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -53.34 162.61 1.13 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -176.341 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -69.43 139.88 54.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.75 -30.27 6.69 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.555 1.16 . . . . 0.0 110.926 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 157.62 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.91 111.55 9.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -94.33 124.1 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 17.0 m-85 -98.93 145.51 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 43.5 t0 -74.96 107.04 6.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . 0.405 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -74.74 -25.72 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.28 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.46 -11.73 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -106.24 141.4 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.02 153.67 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -129.51 157.47 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.57 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 23.6 p -146.67 162.53 38.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -104.24 13.55 32.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -175.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.15 178.82 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.9 p -74.8 68.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 24.9 p -133.71 -52.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.57 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.73 -133.9 8.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 176.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 194' ' ' ASN . 52.0 m -94.12 83.93 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 110.408 168.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 193' ' ' THR . 19.1 t-20 -37.1 109.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -174.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.39 -54.58 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.5 OUTLIER -51.11 -41.66 60.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 111.039 -174.549 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.95 -38.33 85.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.52 -34.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.85 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -58.58 -49.62 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -52.83 -55.97 19.16 Favored 'General case' 0 N--CA 1.515 2.791 0 O-C-N 121.139 -0.975 . . . . 0.0 110.873 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -50.88 -61.41 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.254 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.3 mp -48.51 -45.4 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.23 20.58 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -68.39 -37.89 80.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.381 0.695 . . . . 0.0 109.556 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 72.1 m -68.93 -29.3 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.97 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 54.7 mt -73.16 -50.77 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.35 50.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 209' ' ' LEU . 0.9 OUTLIER -155.08 132.3 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 174.025 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 211' ' ' HIS . 22.2 m-85 -115.84 -178.31 3.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -171.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 210' ' ' PHE . 61.4 m170 -37.82 133.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.568 -170.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -96.21 168.6 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.76 -34.08 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.43 149.47 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.8 p -102.17 -3.85 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.06 -15.65 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -84.63 152.92 23.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -17.44 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -18.85 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 177.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 43.2 t80 -55.61 136.65 70.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.92 61.68 5.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.07 128.81 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.55 149.88 41.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 110.933 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -167.72 122.53 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.576 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.1 t -87.92 165.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 227' ' ' THR . 41.9 tp -137.09 126.03 24.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 226' ' ' LEU . 68.2 p -34.23 -62.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 110.381 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.81 87.89 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 13.0 t -67.83 -12.6 60.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -112.5 -5.5 14.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -48.23 145.03 3.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -147.42 160.01 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 177.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.93 133.87 35.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.8 p -67.74 169.0 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.074 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -31.61 64.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.04 -49.5 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.218 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.56 -40.77 88.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.5 mp -71.5 -39.37 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -53.94 -44.2 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.32 -56.97 4.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.482 HD12 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -54.3 -26.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -176.339 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -79.93 -43.03 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 53.9 p -58.83 -27.4 65.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.2 mt -91.02 -16.18 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.16 -93.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.87 118.92 3.89 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.14 23.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.565 1.824 . . . . 0.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 123.41 7.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.086 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 110.958 178.219 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -138.15 135.88 36.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.59 169.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 172.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.71 6.89 13.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.6 mt 58.02 101.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.376 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 129.1 12.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 pttt 178.85 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -69.17 150.65 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.03 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.2 -4.59 59.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 151.61 48.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -90.29 -33.91 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -79.41 84.43 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.44 158.71 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.0 150.46 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -141.58 174.29 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -160.82 149.94 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -109.36 118.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 173.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.92 -40.94 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -159.56 172.5 17.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.26 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -176.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.65 142.78 25.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 -176.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 64.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.583 1.833 . . . . 0.0 110.959 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -157.72 -49.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.37 158.3 34.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.59 35.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.058 170.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.55 -59.49 5.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.51 -35.48 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.27 86.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.01 -53.84 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.9 -39.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.3 t -54.95 -42.89 72.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 -177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.05 67.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.45 -53.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -30.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 115' ' ' SER . 5.8 mtpp -88.48 -53.91 4.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.55 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.04 -53.88 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -30.36 71.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -171.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -32.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' A' ' 209' ' ' LEU . 95.7 m95 -87.44 -24.83 24.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -23.77 40.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 -20.89 55.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -176.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.5 m -129.5 13.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -171.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.0 p -145.09 159.77 48.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.4 mt -63.04 153.27 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -167.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.5 p -134.74 135.59 42.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 172.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -110.77 147.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -171.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.9 m -143.12 153.71 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.89 152.65 21.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.8 mt -125.71 138.11 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -76.12 -13.36 60.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.97 170.11 15.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.17 160.86 36.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.62 90.59 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.75 167.99 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.45 -36.54 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.8 91.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.01 80.86 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.052 . . . . 0.0 110.977 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.17 141.69 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.9 t -155.28 158.26 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.15 145.05 40.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 174.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.05 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.4 m -105.06 170.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.39 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.3 ptt85 42.15 -162.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.37 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.27 126.68 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.1 p-80 -134.24 47.01 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.645 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 69.81 -157.51 53.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.533 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 2.5 p30 48.61 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.3 t80 -101.36 -5.98 24.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -174.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CD1' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.57 91.98 35.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 178.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.21 16.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 173.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.55 -149.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 35.6 t -37.13 115.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.65 -41.46 15.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.447 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -171.85 142.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 173.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -125.75 158.64 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 -177.491 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -150.91 163.24 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.384 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.653 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 9.2 m-85 -139.2 156.48 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -55.18 174.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -177.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.3 m120 -87.5 163.54 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.74 -37.58 2.95 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.549 1.156 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 66.2 t0 -65.7 149.93 49.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -126.41 120.49 29.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 16.3 m170 -98.14 126.08 43.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.569 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 27.9 m-85 -96.71 174.47 6.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 171.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.62 130.27 45.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 -21.86 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.36 51.4 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -161.8 154.2 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 55.7 tp60 -74.7 154.21 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.496 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 92.6 m95 -146.68 156.01 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.52 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 5.7 p -140.77 177.09 8.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -117.24 26.07 10.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.42 178.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.5 p -75.04 72.03 2.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -134.02 -48.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.52 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -117.8 -135.32 5.33 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 194' ' ' ASN . 30.3 m -80.28 79.03 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.388 172.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 193' ' ' THR . 50.0 t-20 -34.82 108.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 69.8 tp -64.73 -65.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -44.82 -49.51 10.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 197' ' ' LEU . 1.6 tm? -55.61 -35.63 66.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.239 -176.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.64 -34.21 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.92 92.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.361 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.43 -51.59 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -44.07 -55.38 4.76 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.157 -0.965 . . . . 0.0 110.827 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.569 ' OE1' ' CZ ' ' A' ' 180' ' ' PHE . 4.7 mt-10 -51.24 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.07 -34.62 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.02 -48.5 38.52 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -67.33 -41.45 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.573 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 45.2 t -55.91 -39.67 71.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.046 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.99 -63.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 156.24 49.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.567 HD11 ' CH2' ' A' ' 124' ' ' TRP . 11.4 mt -122.2 168.92 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -156.45 168.75 26.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -42.88 120.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 58.5 p -86.63 174.45 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.5 -37.48 15.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.05 148.27 44.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.5 t -97.67 -19.73 18.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.71 -4.87 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -81.34 -179.48 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.38 -43.72 7.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -174.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 93.8 mmm -66.58 -17.04 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.624 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.7 t80 -43.41 137.55 2.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.624 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.36 133.41 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.8 144.35 56.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.102 . . . . 0.0 110.937 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -169.83 124.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.599 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 1.6 t -120.38 134.52 55.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.3 tp -82.77 130.01 35.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 227' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 226' ' ' LEU . 60.1 m -36.46 -60.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.17 90.7 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -62.1 -24.53 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -175.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -19.26 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -97.78 -5.52 34.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 8.5 t80 -47.0 152.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -158.0 158.23 34.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.464 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 61.4 mt -83.28 127.94 34.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 173.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 36.3 t -73.53 166.51 23.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -35.83 70.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 -174.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.29 -44.29 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.07 -41.65 73.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.437 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.5 mp -68.9 -35.63 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -44.42 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -81.94 -53.14 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.7 OUTLIER -54.3 -46.2 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -174.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -26.64 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -175.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 29.5 t -72.56 -30.41 64.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.06 -17.75 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -137.87 -87.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.95 110.92 2.4 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 168.36 25.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 164.88 32.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.254 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.5 p -116.15 136.07 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.629 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 172.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.629 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.03 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 -173.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.91 -10.73 6.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -170.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.0 mt 63.95 112.67 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.312 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.45 11.5 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.1 pttp 173.75 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.41 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 61.0 m95 -73.94 156.79 37.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.011 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.13 -3.69 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -141.03 155.19 46.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -178.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 p -89.14 -28.85 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -74.22 80.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.7 mt -78.75 157.19 28.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -175.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.21 154.3 49.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.357 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -149.26 171.01 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 110.964 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -160.92 145.34 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.62 117.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.45 -39.31 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -162.64 173.39 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.35 -168.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -114.82 142.05 27.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -177.349 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -75.06 67.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -161.97 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -101.39 159.2 30.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.43 35.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 170.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -63.14 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -174.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.12 -37.44 54.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.56 84.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.39 -51.93 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.61 -34.26 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -64.13 -41.97 97.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.52 71.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.87 -55.14 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.44 -31.11 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 36.3 mtpt -82.25 -55.06 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.55 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.57 -49.25 71.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -34.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.448 ' CD1' HG23 ' A' ' 203' ' ' ILE . 82.9 m95 -91.69 -34.57 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -57.53 -23.21 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.265 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -17.53 51.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 m -126.91 20.67 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 242' ' ' ILE . 68.3 p -146.59 159.36 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.393 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.961 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.66 153.05 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 134.25 40.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -103.67 130.77 51.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.968 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -120.6 150.96 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.081 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -91.82 156.11 17.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.4 mt -134.59 115.4 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -60.74 -22.47 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.53 165.06 21.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.69 173.64 24.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.8 99.68 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.09 162.04 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.44 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -63.17 -47.84 80.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -178.199 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.23 86.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.64 95.68 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.85 144.34 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -155.1 163.35 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -118.19 137.63 52.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 173.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.441 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . . . -148.41 167.27 25.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -175.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.3 m -137.11 174.94 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 171.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.9 OUTLIER 33.67 -145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 178.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.49 100.75 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.573 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 36.1 p-80 -107.73 8.36 28.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.632 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 157.26 -90.74 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 4.7 t0 -72.34 -171.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -92.33 75.93 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.573 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.7 67.25 4.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.32 14.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.415 1.745 . . . . 0.0 110.973 -171.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.483 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 8.5 m-30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -157.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.65 118.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.97 -36.63 18.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' HB2' ' CD ' ' A' ' 202' ' ' GLU . . . -171.37 144.74 2.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 173.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.411 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -118.69 174.1 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 176.147 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.97 164.25 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -114.61 171.32 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.52 171.13 5.49 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -177.146 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.63 151.28 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.75 -32.89 4.37 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.5 39.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.715 . . . . 0.0 109.353 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.4 111.31 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -95.45 121.76 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CE2' ' OE1' ' A' ' 202' ' ' GLU . 22.1 m-85 -91.46 155.01 18.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -82.34 105.48 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.32 -24.33 59.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.38 47.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.279 176.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.79 150.68 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 0.0 110.264 -177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -74.6 155.18 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.342 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.83 156.71 45.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 108.023 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.55 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.5 p -144.97 159.87 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.47 28.19 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.13 177.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.4 p -69.96 74.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.6 p -139.73 -48.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.55 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -108.96 -132.55 6.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 194' ' ' ASN . 22.5 m -91.38 89.06 7.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 0.723 . . . . 0.0 110.383 168.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 193' ' ' THR . 18.2 t-20 -42.76 111.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.14 -45.67 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.5 OUTLIER -60.96 -38.35 85.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -174.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -38.52 88.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.34 -32.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.16 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.91 82.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -49.8 -55.95 12.19 Favored 'General case' 0 N--CA 1.514 2.737 0 O-C-N 121.153 -0.967 . . . . 0.0 110.899 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.413 ' CD ' ' HB2' ' A' ' 165' ' ' ALA . 3.1 mt-10 -50.51 -63.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 110.373 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.1 mp -50.91 -36.68 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -176.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -45.5 -45.17 11.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -66.17 -40.18 90.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.581 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.9 t -62.16 -44.57 96.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 39.4 mt -70.38 -53.47 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -172.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 144.61 56.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.46 141.03 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.325 166.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 211' ' ' HIS . 41.5 m-85 -118.22 -175.37 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 210' ' ' PHE . 55.3 m170 -37.93 126.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.0 m -95.08 173.31 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.81 -42.33 15.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.296 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.56 148.53 23.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 64.2 p -95.97 -26.09 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.38 -15.89 60.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.52 159.61 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -90.36 -27.83 19.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -176.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -18.79 64.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.441 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 44.8 t80 -59.9 138.16 90.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.441 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 64.39 6.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -177.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.16 139.39 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -75.6 144.74 41.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -171.83 123.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -100.84 135.23 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.81 164.0 27.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -41.81 -35.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -145.03 116.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.364 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.508 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -68.51 -22.58 64.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -174.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.78 -14.03 61.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -114.27 -5.58 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -43.22 143.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.476 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 2.8 ttp180 -143.94 161.63 38.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 176.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.57 135.66 34.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.2 t -68.69 168.19 13.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.28 70.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -55.08 -44.48 74.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.14 -51.83 61.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 240' ' ' ASN . 2.3 mp -61.06 -35.86 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 239' ' ' ILE . 32.2 t-20 -36.48 -48.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.64 -50.11 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.448 ' CD1' ' CE3' ' A' ' 124' ' ' TRP . 0.1 OUTLIER -59.62 -19.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -174.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.84 -43.85 7.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 28.9 t -58.42 -36.47 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 110.006 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.92 -15.56 44.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.41 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 19.8 m-85 -150.83 -93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.29 127.1 1.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 166.69 28.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.3 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 111.091 179.086 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -148.9 144.19 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.451 ' CE2' ' HB1' ' A' ' 169' ' ' ALA . 0.2 OUTLIER -57.15 169.71 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 170.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 173.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.21 -9.21 4.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.7 mt 67.51 103.22 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.8 pttt 178.93 122.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.41 143.86 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -80.33 -8.43 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -114.07 155.9 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.6 p -93.62 -32.16 14.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -80.98 89.72 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.9 mt -87.3 161.56 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.01 152.77 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -146.3 176.11 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -165.42 151.47 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.0 mm -108.83 116.42 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.98 -43.06 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 13.9 p-10 -152.98 170.94 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -133.34 156.14 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -76.21 144.06 74.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -175.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.94 74.04 4.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.94 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.364 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.61 157.46 35.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.584 1.178 . . . . 0.0 109.276 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.87 34.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.47 -60.89 3.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.16 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.243 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.4 -51.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.43 -34.83 62.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -60.48 -43.56 96.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.97 -45.16 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 31.1 t -68.67 -54.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -43.65 -37.88 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.5 mttt -74.12 -51.95 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.26 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.3 mt -67.22 -52.79 36.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.76 -34.78 76.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.04 -40.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.465 ' CE3' HD11 ' A' ' 242' ' ' ILE . 88.9 m95 -84.57 -31.83 24.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.99 -24.52 39.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -19.14 58.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.4 m -130.68 18.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.429 ' CG2' HG12 ' A' ' 242' ' ' ILE . 75.8 p -145.77 159.97 45.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 170.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.22 21.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.405 HD23 ' CE1' ' A' ' 246' ' ' TYR . 84.4 mt -57.51 154.68 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -136.45 134.54 37.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.47 124.82 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -105.99 163.34 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 144.47 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.89 133.46 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -97.52 -4.72 37.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -152.7 164.7 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.34 174.0 45.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.09 . . . . 0.0 111.049 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -92.93 95.47 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.297 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.82 162.02 7.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.69 -37.2 86.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.3 mt -115.4 84.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.69 84.45 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.43 137.35 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 t -151.39 163.88 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -175.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -116.08 156.85 25.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -158.87 142.72 15.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 m -107.92 159.23 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 48.4 -156.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.6 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.5 p-80 -135.43 26.47 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.635 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 87.08 -161.64 33.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 152' ' ' GLY . 2.3 p30 48.75 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 0.811 . . . . 0.0 109.339 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.5 t80 -97.26 -4.83 38.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -116.51 85.5 16.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 177.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.512 ' CE1' HG13 ' A' ' 163' ' ' VAL . 1.7 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 172.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 45.51 -151.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.335 178.26 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.512 HG13 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -34.91 113.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 174.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.98 -35.32 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.76 142.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.0 p-80 -133.64 161.35 34.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.58 174.61 15.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.2 OUTLIER -141.55 137.01 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 -175.261 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 86' ' ' PHE . . . -56.86 155.4 15.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -171.567 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -85.93 174.01 9.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.23 -32.38 5.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.13 27.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.62 121.03 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -96.86 124.66 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.573 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 22.3 m-85 -105.8 162.85 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.976 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.55 127.15 36.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.5 -13.51 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.38 36.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.07 165.54 27.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -82.48 154.85 24.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -149.2 153.44 37.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.516 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 3.1 p -139.47 178.04 7.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -115.44 19.7 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.39 177.81 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 p -74.79 71.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 19.2 p -133.24 -46.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.417 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.516 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -118.9 -133.14 4.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.5 m -86.54 74.23 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.433 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 193' ' ' THR . 38.8 t30 -39.69 107.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.4 tp -56.42 -49.82 73.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -51.18 -44.38 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.94 -39.17 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.03 -32.97 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.86 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.27 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -56.6 -51.08 70.03 Favored 'General case' 0 N--CA 1.515 2.798 0 O-C-N 121.18 -0.95 . . . . 0.0 110.883 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 5.5 mm-40 -51.1 -59.97 3.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.78 -36.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.25 -46.4 43.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 67.8 m-70 -63.9 -37.89 89.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.9 t -69.61 -27.94 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.03 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.46 -101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -148.82 25.03 1.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 19.0 mt -122.38 169.23 11.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.621 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 17.2 m-85 -146.08 -55.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.055 . . . . 0.0 110.982 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -152.76 154.5 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 m -124.16 166.92 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.47 -30.71 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.75 148.1 40.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -95.77 -17.48 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.443 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.23 -23.89 63.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.28 159.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -20.08 26.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.7 tpt -69.38 -18.7 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 57.7 t80 -51.82 138.62 32.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 176.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 62.31 5.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.27 132.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 176.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -51.44 154.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -139.71 168.31 20.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 1.061 . . . . 0.0 109.547 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 65.4 p -166.63 164.21 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.015 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.58 154.0 33.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.5 m -50.42 -34.55 24.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -139.75 105.93 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -68.61 -23.46 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -175.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -10.5 25.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -106.61 -5.48 18.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.2 OUTLIER -58.22 145.85 35.91 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 5.2 ttt180 -155.84 155.79 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 21.8 mt -71.59 131.42 43.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 84.2 p -73.34 166.69 22.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -36.21 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.7 -43.04 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -70.72 -42.16 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.435 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.7 mp -67.82 -35.97 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -51.0 -43.34 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.46 -58.97 2.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.465 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -53.12 -45.67 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.328 -174.215 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.05 -24.7 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 45.0 t -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.12 -20.01 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.405 ' CE1' HD23 ' A' ' 130' ' ' LEU . 32.3 m-85 -144.38 -90.6 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.74 116.7 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.77 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.409 1.742 . . . . 0.0 111.018 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.97 32.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.18 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -134.55 134.55 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.72 171.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.88 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.07 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.9 -10.8 4.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.4 mt 66.31 102.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.328 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 pttp 178.96 122.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.25 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -63.54 150.99 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 107.989 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -85.41 -3.68 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.08 153.69 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -87.01 -31.61 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -74.95 86.03 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.58 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.9 mt -83.5 160.37 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.35 156.75 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -149.5 171.48 16.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -160.46 147.09 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.97 117.21 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.358 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.72 -38.43 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -163.0 168.31 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 -166.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -175.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.88 139.19 23.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 59.43 5.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -154.74 -47.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.13 157.71 33.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.31 25.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.29 -64.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -36.25 20.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.37 -46.24 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.16 -53.78 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.14 -35.87 60.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 119' ' ' LYS . 4.0 t -59.07 -48.8 80.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.24 -37.44 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.93 -51.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -47.27 -29.91 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.1 mttm -89.0 -51.66 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.33 -43.19 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.228 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.2 -54.34 45.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -32.37 72.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.186 . . . . 0.0 109.379 -172.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.419 ' O ' ' OG1' ' A' ' 128' ' ' THR . 96.7 m95 -88.8 -31.37 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.53 -23.17 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.07 -18.25 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 m -128.72 14.75 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 124' ' ' TRP . 0.7 OUTLIER -155.68 161.61 29.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 169.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.08 19.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.7 mt -60.63 152.76 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.6 p -130.88 167.53 18.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.369 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.01 155.32 50.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.3 m -154.24 146.88 24.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.927 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -92.53 150.49 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.363 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.97 113.5 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.73 -23.7 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -157.19 167.96 28.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.93 -176.87 29.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.15 104.88 15.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.557 0.798 . . . . 0.0 110.353 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.13 164.01 21.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -63.42 -46.2 87.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -178.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.8 mt -112.65 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.59 92.17 8.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.04 142.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -149.36 157.07 43.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.078 . . . . 0.0 110.01 -176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 13.0 m-85 -119.23 144.14 46.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.4 144.45 10.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.81 156.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 49.53 -173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 110.281 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.6 140.22 8.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.694 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 24.0 p-80 -147.11 30.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.579 -166.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 128.22 -91.51 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER -71.01 -173.44 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -176.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.5 t80 -87.12 76.71 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -152.25 72.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 174.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.28 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -168.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 166.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.0 -153.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 178.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' ASN . 25.6 t -37.26 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 175.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.52 -42.65 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.443 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -173.05 143.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.356 176.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -123.69 166.85 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.82 166.86 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.73 153.32 50.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -51.43 170.5 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.273 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.2 m-20 -90.03 160.21 16.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.13 -36.27 3.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.63 158.54 29.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 0.813 . . . . 0.0 109.267 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.55 121.49 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -104.15 123.11 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.573 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.562 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 28.3 m-85 -98.66 171.28 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 174.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -97.89 132.48 43.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -18.93 17.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.39 51.84 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -172.08 147.15 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.513 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 48.7 tp60 -71.54 153.62 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 110.219 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.513 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 89.0 m95 -136.26 157.06 47.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 108.066 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.565 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -135.61 171.25 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -113.1 19.23 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.85 177.73 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 16.8 p -76.83 66.55 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 110.433 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.1 p -127.54 -50.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.565 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -113.19 -134.39 6.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.044 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 94.9 m -85.08 84.58 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 0.728 . . . . 0.0 110.459 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -49.66 108.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.84 -43.69 97.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -60.7 -40.17 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.32 87.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.59 -33.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.15 74.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -48.07 -58.89 3.86 Favored 'General case' 0 N--CA 1.515 2.794 0 O-C-N 121.208 -0.932 . . . . 0.0 110.877 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.562 ' OE1' ' CZ ' ' A' ' 180' ' ' PHE . 3.1 mt-10 -51.44 -60.87 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.41 -39.56 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.68 -46.04 47.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -64.06 -43.94 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.659 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 69.2 m -57.11 -41.12 78.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.47 -58.82 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.09 52.69 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.93 142.63 18.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 172.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -119.09 -177.05 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -172.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -41.74 137.73 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.628 -173.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 213' ' ' ALA . 96.0 p -90.01 -105.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 212' ' ' SER . . . -174.92 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.83 147.73 37.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 14.2 t -88.59 -20.61 24.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.438 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.37 -18.02 59.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.26 171.76 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.95 -36.15 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.89 -18.61 63.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 13.1 t80 -44.07 144.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.03 -39.77 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.28 131.02 41.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -48.19 152.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -149.09 160.33 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.539 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 31.6 t -158.98 179.73 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 12.9 tp -153.1 147.61 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.3 t -56.73 -28.03 60.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -141.47 108.18 5.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -86.35 -17.08 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -171.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 4.9 p -64.16 -6.02 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -117.81 -5.89 11.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.515 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -44.64 144.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -177.715 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.468 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 1.9 ttt85 -151.43 157.17 42.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.52 136.85 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 46.6 t -77.71 166.62 22.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -34.02 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -55.48 -41.07 72.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -75.29 -43.08 53.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.45 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.4 mp -65.79 -33.92 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 -177.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -47.44 -47.56 26.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.3 -55.97 3.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -173.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.45 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -51.13 -47.45 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.279 -175.574 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.49 60.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.4 t -70.92 -32.82 69.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.013 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.26 -16.91 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -148.59 -90.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.41 120.03 4.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.77 26.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.47 7.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.439 1.758 . . . . 0.0 111.035 178.153 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.1 p -130.52 135.57 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.55 171.65 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 170.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 3.61 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.11 8.62 8.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp 54.17 95.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 129.02 11.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.052 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 176.11 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -62.82 146.99 51.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 108.011 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -81.71 -3.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.57 157.86 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 p -89.92 -30.09 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -77.66 87.7 3.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.61 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.6 mt -86.11 152.59 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.04 150.4 48.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -144.65 173.59 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -161.42 152.46 18.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.68 116.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 172.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.27 -41.08 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -157.45 172.83 17.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -128.95 -176.81 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -106.72 143.52 27.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -175.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.96 63.71 5.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -158.13 -48.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.34 158.75 31.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -65.96 -59.6 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.4 -37.03 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.89 90.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.25 -52.05 52.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -33.5 52.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -65.45 -42.91 91.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.87 71.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 13.3 t -71.21 -56.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 177.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -44.6 -33.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' SER . 37.2 mtpt -79.08 -50.09 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.191 . . . . 0.0 109.306 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.96 67.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.1 mt -66.67 -50.45 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.5 t -52.96 -40.23 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.443 ' CE3' HD11 ' A' ' 242' ' ' ILE . 76.8 m95 -85.13 -33.34 22.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.4 -22.71 54.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.08 -19.02 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.3 m -127.79 19.47 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.286 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.45 ' CG2' HG12 ' A' ' 242' ' ' ILE . 33.5 p -145.35 157.64 52.47 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 169.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -8.3 20.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.017 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.81 154.66 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.38 134.72 44.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -107.25 147.5 30.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -172.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -142.54 147.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -99.01 148.82 23.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.236 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.15 121.97 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -60.79 -25.59 66.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 111.05 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.47 163.12 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 122.93 -147.22 16.71 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -128.51 81.14 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 0.808 . . . . 0.0 110.319 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.34 156.61 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.32 -56.12 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mt -98.71 91.87 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.87 87.33 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.88 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -149.75 168.35 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -125.48 154.1 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -163.89 143.06 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.9 157.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 50.74 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -47.1 111.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 55.5 p-80 -111.26 47.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 170.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 71.83 -153.53 50.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -172.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.3 p30 48.64 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 174.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.7 t80 -107.72 1.43 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -174.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.568 ' CD2' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.95 94.99 45.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.0 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.431 1.753 . . . . 0.0 111.001 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 181' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.32 -155.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.254 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 157' ' ' PHE . 49.1 t -39.37 123.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -38.19 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.417 ' CB ' ' CD ' ' A' ' 202' ' ' GLU . . . -170.51 145.87 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.47 168.16 20.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.639 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -153.76 177.86 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.568 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 57.5 m-85 -147.7 152.31 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -47.95 173.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.095 -178.077 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 9.2 m120 -91.39 154.49 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.66 -36.93 3.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 16.1 t0 -72.85 144.71 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -113.31 123.25 49.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -97.52 127.76 43.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.653 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 202' ' ' GLU . 17.1 m-85 -112.78 160.97 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.411 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 15.4 t0 -87.41 135.15 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 173.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.93 -23.67 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -18.13 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 154.19 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.33 156.26 37.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -144.49 153.71 42.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 107.959 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.531 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 25.1 p -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 176.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -97.27 -20.46 17.87 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -141.91 -166.23 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.0 p -76.13 74.69 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.1 p -131.85 -47.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.531 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -123.11 -131.57 3.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 111.03 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 194' ' ' ASN . 99.5 m -82.61 79.33 9.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 56.3 t-20 -41.18 111.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.17 -56.8 16.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.3 t80 -47.91 -50.02 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -175.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -38.22 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.01 -38.83 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -50.24 -50.86 48.66 Favored 'General case' 0 N--CA 1.515 2.788 0 O-C-N 121.183 -0.948 . . . . 0.0 110.839 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 180' ' ' PHE . 1.8 mp0 -52.33 -63.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 mp -49.52 -41.71 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.31 -46.97 43.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 80.1 m-70 -64.28 -36.65 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.549 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.9 m -67.94 -34.48 76.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.08 -87.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -174.55 42.16 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.03 139.04 17.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 171.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.424 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 6.6 m-85 -116.05 -67.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -169.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -138.94 137.69 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.566 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 t -101.82 166.28 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.66 -20.18 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -78.6 147.87 33.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.1 t -105.06 -1.13 26.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.397 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.85 -5.0 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -85.21 151.84 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.405 ' CD2' ' C ' ' A' ' 218' ' ' LEU . 0.0 OUTLIER -75.99 -14.04 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 7.4 tpt -82.42 -7.07 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.548 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 35.2 t80 -74.85 144.09 79.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.96 59.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.8 tp -167.63 135.44 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.2 145.51 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.34 123.88 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.675 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 49.9 m -111.31 169.51 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.081 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 18.9 tp -142.14 151.96 42.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.3 t -49.42 -36.58 22.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.47 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -138.59 106.29 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.23 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.75 -23.67 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -176.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -19.72 65.56 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 5.2 t80 -44.91 154.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -157.57 157.12 33.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 25.2 mt -77.63 145.97 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 92.5 p -70.38 163.9 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.45 -26.61 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -42.14 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.53 -46.23 86.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -48.58 -44.88 37.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.18 -61.89 2.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.45 HG12 ' CG2' ' A' ' 128' ' ' THR . 1.0 OUTLIER -53.59 -46.42 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.36 -174.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -25.51 62.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -175.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 t -73.38 -35.7 65.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.22 -23.11 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.72 -88.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 92.82 118.7 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 166.35 29.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.88 32.47 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.787 . . . . 0.0 110.954 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.193 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -123.45 173.91 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.356 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -88.9 170.4 11.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 176.647 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.92 124.56 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 111.043 -176.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.05 -2.16 78.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -174.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt 46.57 73.89 0.91 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.327 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.6 13.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 173.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -166.14 146.56 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -176.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -53.46 148.21 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -96.5 -3.94 42.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -174.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -121.7 154.15 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 p -91.36 -32.38 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 178.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -74.97 76.7 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.609 178.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.23 154.14 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -176.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.27 146.73 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 176.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -141.45 168.16 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -165.39 140.87 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 110.33 -174.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -93.48 121.2 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 177.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.9 t -81.36 -40.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -159.6 170.32 21.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -124.19 -176.22 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -177.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.83 142.08 25.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.371 -177.5 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.6 Cg_endo -74.97 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 178.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -160.45 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -178.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -103.07 159.43 29.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.73 30.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.941 170.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -51.9 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -171.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.32 -36.43 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -178.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.44 87.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -176.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.7 -52.64 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -178.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -33.15 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -64.15 -43.88 93.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.72 76.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.35 -53.08 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -34.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 172.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 6.0 mtpm? -80.84 -55.86 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -177.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.22 -40.71 64.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -177.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.57 -51.06 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -34.37 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -175.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -36.66 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.569 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.443 ' CD1' HG23 ' A' ' 203' ' ' ILE . 88.5 m95 -85.73 -33.81 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.21 -24.35 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 177.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.44 -19.11 59.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.32 16.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -172.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.3 p -144.82 159.72 49.45 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 171.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -8.79 20.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 173.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 246' ' ' TYR . 79.9 mt -59.59 155.47 15.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -170.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -137.72 134.85 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 173.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -112.02 136.84 50.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -172.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.4 m -127.22 147.15 50.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 178.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -90.89 149.44 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -130.71 128.75 41.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 177.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -88.95 -5.99 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -155.7 177.2 11.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 177.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.68 -155.54 43.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.01 105.58 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.66 156.03 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.38 -37.08 85.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 -177.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 mt -116.31 84.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.38 85.57 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.12 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -173.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -142.42 162.93 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -174.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.4 m-85 -122.4 146.7 47.11 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 110.919 177.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -159.98 -179.81 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 150' ' ' GLU . 14.5 m -136.42 161.78 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -178.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.1 OUTLIER 29.3 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 176.161 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 148' ' ' VAL . 10.4 tp10 -96.59 135.59 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 -175.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.738 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 22.9 p-80 -158.69 35.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 173.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 87.03 -166.02 36.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CE2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER 44.17 -159.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.362 176.842 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -124.96 77.01 1.58 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.738 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -159.7 76.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 176.904 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 95.26 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -168.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 171.325 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.18 -153.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 178.753 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 162' ' ' ASN . 73.0 t -35.23 108.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.372 177.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.3 mt -79.68 -41.0 27.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 174.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.4 142.71 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 178.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.8 p-80 -130.65 167.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -154.08 158.61 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.76 164.09 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -83.1 154.36 67.05 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 168.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -171.726 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . 0.467 HD12 ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 12.1 m-20 -86.32 173.81 9.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.88 -41.03 2.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.6 t0 -65.22 143.13 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -108.45 123.12 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -104.26 121.0 42.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -173.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.512 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 31.8 m-85 -102.27 161.44 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 176.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -89.07 120.72 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 176.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.62 -18.06 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 177.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -91.62 50.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -175.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.74 167.07 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 173.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -78.41 156.21 29.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 -175.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -140.14 158.58 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.99 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.602 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 18.1 p -145.43 171.67 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -120.62 26.39 9.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -177.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.04 176.28 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 25.0 p -76.46 81.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.4 t -157.03 -42.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -101.78 -141.9 12.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 174.004 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.524 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.4 m -90.75 72.57 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.384 166.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.524 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.3 t30 -34.17 110.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -172.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.8 tp -52.88 -52.1 58.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -171.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.7 t80 -47.63 -51.49 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.994 -175.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -37.09 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.0 t -78.7 -42.93 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -50.38 -45.45 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.98 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -44.61 -54.27 6.3 Favored 'General case' 0 N--CA 1.513 2.718 0 O-C-N 121.171 -0.956 . . . . 0.0 110.892 171.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 1.4 mm-40 -51.29 -64.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.382 1.051 . . . . 0.0 110.325 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -47.63 -43.23 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -177.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.08 25.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.96 -42.61 99.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.9 m -60.21 -36.01 76.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.61 -75.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.87 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 177.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 8.3 mt -115.97 162.44 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.25 177.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 48.3 m-85 -151.6 169.76 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -45.59 124.64 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.618 -166.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 35.5 m -80.51 174.61 11.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.74 -35.01 16.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 177.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.82 148.21 51.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 74.1 p -97.35 -27.83 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.75 159.96 32.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -24.3 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.6 tpt -60.58 -27.09 67.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 110.919 176.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.538 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.2 t80 -52.74 147.55 15.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -172.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 134.78 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 -176.131 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.26 151.13 41.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 -177.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.67 146.9 11.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 22.4 t -114.88 -174.8 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -177.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -149.04 157.18 43.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 26.3 m -52.26 -37.68 56.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.13 127.7 19.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -97.98 -20.15 17.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -171.501 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -19.56 59.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.378 -177.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.99 -4.95 22.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 175.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 1.2 t80 -38.82 152.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.982 -178.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -156.21 157.58 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.69 147.32 35.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 15.8 m -74.56 159.86 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.74 -31.8 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -38.73 65.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 178.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -79.47 -46.82 16.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -174.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.92 -38.33 79.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -177.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -52.66 -45.0 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.5 -51.5 6.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -176.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.437 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.2 tp -58.67 -30.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -174.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -34.01 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 23.0 t -60.42 -26.21 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.08 . . . . 0.0 110.002 176.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.83 -34.46 33.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.42 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 5.0 m-85 -143.35 -84.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -177.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.27 120.67 3.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.47 26.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.14 31.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.454 1.765 . . . . 0.0 110.922 179.232 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -116.02 136.04 53.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.425 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -64.56 173.38 1.6 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 111.007 172.444 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.08 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.997 178.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.06 -10.93 4.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -173.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.8 mt 65.72 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.91 11.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt 172.96 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -65.24 151.89 45.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -87.49 -4.04 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -173.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 8.6 pttm -127.26 152.72 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.631 1.207 . . . . 0.0 109.372 179.008 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -89.44 -39.35 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.382 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -74.49 79.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.22 159.01 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.361 -176.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 150.89 49.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 173.467 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -144.51 169.38 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 178.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 144' ' ' ILE . 6.8 ttt85 -165.85 143.67 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -177.475 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -102.47 117.0 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 175.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -75.69 -41.03 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -152.43 171.52 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -177.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.94 -170.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -177.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -114.6 143.96 30.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -178.129 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 64.24 6.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.31 -48.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.26 160.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 170.76 19.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 172.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.48 -59.92 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -173.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -50.77 -35.04 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -178.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.54 90.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -175.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.39 -51.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.326 -177.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.49 -33.03 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -63.59 -45.25 91.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.992 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.62 -39.03 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.25 -53.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -44.86 -34.21 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.5 mttp -81.8 -56.34 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -176.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.98 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -176.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.56 -52.9 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.5 73.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -173.647 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -33.43 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -178.632 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.414 ' CH2' HD13 ' A' ' 209' ' ' LEU . 90.3 m95 -93.2 -32.43 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -176.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.3 -23.83 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 177.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -18.83 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -175.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.06 18.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -173.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.5 p -144.91 159.86 48.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.42 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.57 21.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 175.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.402 HD23 ' CE1' ' A' ' 246' ' ' TYR . 53.8 mt -57.74 154.35 11.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -172.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 134.38 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 110.443 173.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -109.11 131.45 55.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -172.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.4 t -119.63 161.17 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 177.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -112.42 150.83 30.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.1 mt -128.27 125.9 39.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -77.73 -11.94 59.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 111.021 -177.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.44 171.03 20.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 176.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.16 -146.04 20.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.148 . . . . 0.0 110.968 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.55 148.95 42.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 110.232 -178.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -128.74 155.68 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.21 -39.66 93.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -175.54 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.49 87.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.1 mmt -90.59 83.63 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' ARG . 2.7 mp -70.23 145.21 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -174.379 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 m -155.39 159.06 39.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.33 139.69 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 174.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -148.47 162.08 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -175.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.54 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -130.56 -175.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 165.169 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 148' ' ' VAL . 35.1 ptt85 36.8 -157.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.186 . . . . 0.0 110.299 177.106 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.5 tm-20 -62.15 110.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 174.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 24.5 p-80 -117.99 7.74 12.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.073 . . . . 0.0 109.53 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.92 -94.64 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 t0 -73.69 179.25 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 177.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.6 t80 -83.63 80.52 9.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -176.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.608 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.92 64.71 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 178.396 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.72 23.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 -170.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.54 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 9.1 m-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 47.9 -148.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 177.376 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 162' ' ' ASN . 8.8 t -32.34 113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 176.332 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.32 -33.55 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.427 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . 179.56 141.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.18 170.33 10.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.056 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.61 164.49 38.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -122.78 152.43 40.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.429 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -61.55 177.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 170.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.417 1.746 . . . . 0.0 111.001 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.1 m-80 -90.39 169.77 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.71 -38.14 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 176.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -73.6 149.15 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.321 -177.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -115.6 113.05 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.8 120.68 35.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -178.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.468 ' CD1' ' OE1' ' A' ' 202' ' ' GLU . 30.6 m-85 -88.98 153.67 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.077 172.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.7 t0 -84.4 107.03 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -24.22 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -80.19 50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 177.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 151.07 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 22.9 tt0 -73.82 156.95 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 177.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.405 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 91.7 m95 -141.28 155.05 46.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.556 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 37.3 p -140.19 168.45 19.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -93.39 -23.43 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.21 -177.8 4.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -175.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 p -70.92 76.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -178.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.1 p -134.59 -48.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.457 177.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.556 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -117.58 -130.64 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.947 176.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 54.7 m -86.4 87.35 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 0.723 . . . . 0.0 110.402 171.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 197' ' ' LEU . 14.2 t-20 -46.09 115.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -178.469 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 68.3 tp -67.49 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.22 -175.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -42.49 -51.41 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 -177.588 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 194' ' ' ASN . 1.8 tm? -54.65 -38.14 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -177.102 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.23 -33.77 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.297 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.01 -39.4 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -177.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.69 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -54.42 -54.36 41.83 Favored 'General case' 0 N--CA 1.514 2.768 0 O-C-N 121.101 -0.999 . . . . 0.0 110.818 177.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 180' ' ' PHE . 2.4 mt-10 -50.5 -62.34 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 177.315 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.05 -38.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -177.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.69 26.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.72 -39.27 73.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.6 t -58.61 -39.25 79.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.992 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.65 -70.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -177.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 161.4 49.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.414 HD13 ' CH2' ' A' ' 124' ' ' TRP . 10.8 mt -124.14 151.86 43.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 174.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 86' ' ' PHE . 85.3 m-85 -140.51 167.36 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 171.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 210' ' ' PHE . 35.1 m170 -41.91 139.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.634 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 11.1 m -103.48 167.39 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -78.25 -39.4 40.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.06 147.27 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.374 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.6 p -101.52 -11.37 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.11 -23.65 47.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 176.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.04 168.78 17.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -175.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.69 -20.56 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 177.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.38 67.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 22.4 t80 -43.06 145.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 175.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 -35.67 3.05 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -165.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.21 136.32 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 178.671 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -46.21 146.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.03 124.15 45.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -177.308 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 85.5 p -132.28 163.49 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.048 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.4 tp -155.18 149.62 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -50.37 -32.79 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -133.93 93.4 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 177.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -66.47 -21.79 66.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -178.54 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.3 t -66.86 -11.08 54.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -112.63 -5.69 13.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -176.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -47.28 146.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.46 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.4 mmt180 -148.28 148.26 30.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 178.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.02 133.08 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 174.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 65.5 m -73.23 164.71 26.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 177.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.38 -34.84 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -177.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.45 -47.88 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.295 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.88 -50.45 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -177.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.24 -37.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 -174.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.26 -44.41 61.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.43 6.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 110.964 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.41 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.0 OUTLIER -60.94 -26.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 -174.577 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.35 -39.43 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.9 m -54.8 -29.93 55.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.41 -33.9 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 178.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.402 ' CE1' HD23 ' A' ' 130' ' ' LEU . 40.1 m-85 -133.03 -91.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 111.001 -178.249 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.7 118.61 3.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.87 28.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 178.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.11 32.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.231 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -118.36 135.76 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.392 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.628 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -84.2 176.74 3.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 170.854 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.628 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.94 98.73 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 -173.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.73 -11.81 5.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -170.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt 65.13 110.26 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' HD21 ' A' ' 245' ' ' LEU . 18.1 Cg_endo -75.04 125.1 9.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.051 -177.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 245' ' ' LEU . 0.7 OUTLIER 171.48 123.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -177.051 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.425 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 97.9 m95 -73.97 156.26 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 177.346 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -87.25 -3.25 59.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -176.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -130.81 155.94 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -90.9 -35.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -76.92 82.23 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 92' ' ' TRP . 14.0 mt -77.6 166.31 23.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -176.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.76 144.61 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 175.61 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -138.69 171.29 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 175.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -160.82 131.82 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 110.279 -175.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -94.28 114.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 176.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.57 -41.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -174.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -159.79 172.82 16.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.387 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -120.11 -165.49 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.086 -176.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -118.03 143.2 32.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -177.843 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.99 68.91 5.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 178.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.38 -48.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.614 1.196 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.11 160.31 26.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 178.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.03 32.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 171.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -58.76 6.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -170.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 -35.17 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -176.167 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.89 87.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -176.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.27 -53.94 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -178.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -51.94 -34.78 43.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -59.2 -40.42 85.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -177.682 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.95 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 2.3 t -75.05 -54.87 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 177.426 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -47.13 -29.2 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 174.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 115' ' ' SER . 41.3 mtpt -84.3 -53.7 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -176.557 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.46 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 178.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 84.4 mt -64.0 -49.96 70.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -177.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -59.65 -37.21 78.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.35 -39.92 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.459 ' CE3' HD12 ' A' ' 242' ' ' ILE . 88.5 m95 -84.21 -31.84 24.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.025 -177.535 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.76 -22.7 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 178.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.2 -19.28 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -175.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.86 18.6 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -173.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 242' ' ' ILE . 61.4 p -144.89 160.43 46.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 169.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -9.03 20.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.35 154.9 40.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -169.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.1 p -129.09 167.97 16.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 169.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.62 134.56 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.5 t -124.24 179.99 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -128.76 152.46 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.7 mt -122.33 123.0 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -60.35 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -152.31 166.68 31.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 89.8 -159.39 27.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.03 142.32 35.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.248 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -115.12 163.03 16.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 176.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -33.9 76.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -177.143 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.4 mt -123.46 88.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.38 101.75 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.081 -179.545 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.45 142.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -175.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -150.61 169.93 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 20.7 m-85 -128.86 139.95 51.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 176.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 143.88 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.98 178.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 171.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 41.93 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 174.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.86 138.24 50.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 177.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.0 p-80 -146.23 28.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -167.518 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 136.96 -89.18 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.063 179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.12 -164.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -178.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.44 74.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.49 70.4 5.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 178.744 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 105.07 2.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 -171.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 181' ' ' ASP . 3.6 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 173.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.08 -152.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 109.251 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 162' ' ' ASN . 65.4 t -35.14 115.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 178.135 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.41 -39.34 12.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 173.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.85 142.22 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 173.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.79 162.56 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.591 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -156.88 145.71 20.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -174.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -99.08 170.65 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.85 167.54 9.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 175.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 -177.122 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -68.84 139.03 55.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.96 -28.19 9.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.57 155.56 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -176.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -139.79 124.26 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 178.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -112.16 139.48 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.572 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.521 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 20.9 m-85 -106.6 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 174.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.428 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -91.41 114.09 26.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 173.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.5 -23.86 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.31 -26.8 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -175.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.52 152.73 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -175.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -75.95 156.11 34.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -140.23 154.73 46.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 108.007 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.507 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 71.1 p -142.31 170.63 15.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.469 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.55 10.47 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -174.103 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -166.46 -170.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 37.9 p -77.88 70.45 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 110.383 -175.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 16.1 p -131.46 -49.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.464 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.507 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -102.71 -134.0 8.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 177.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 194' ' ' ASN . 42.6 m -94.91 75.44 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.414 169.075 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 193' ' ' THR . 58.9 t30 -34.98 112.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -173.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -55.38 -52.91 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -169.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.9 -45.16 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -174.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -39.28 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.207 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -79.79 -32.96 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -66.37 -42.44 88.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -176.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -67.99 -22.44 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.38 -179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.34 -57.89 3.6 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 121.185 -0.947 . . . . 0.0 110.78 174.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -54.17 -51.34 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.2 OUTLIER -54.46 -38.93 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -177.526 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -53.64 -39.34 60.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 -178.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -66.71 -37.72 85.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.584 178.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -70.79 -34.95 72.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -178.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.81 -53.55 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -176.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.94 56.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.562 1.164 . . . . 0.0 111.053 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 209' ' ' LEU . 1.3 pt? -164.81 132.42 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.726 . . . . 0.0 109.301 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 211' ' ' HIS . 33.0 m-85 -109.48 -173.86 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 111.016 -177.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 210' ' ' PHE . 46.9 m170 -35.66 131.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.61 -175.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 61.7 p -86.25 177.14 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 -179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.46 -30.39 23.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.1 150.83 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -178.399 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.2 t -97.82 -19.52 18.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -178.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -11.25 59.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.82 171.79 14.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.405 HD11 ' CZ ' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -94.96 -24.5 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -176.084 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.66 -15.26 62.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 177.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.556 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 62.6 t80 -64.07 137.63 97.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 175.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.03 65.43 6.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.9 132.16 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 177.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -74.08 149.24 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -172.0 123.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.548 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 68.0 m -97.49 170.38 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -177.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 33.1 tp -130.94 152.86 49.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.1 p -39.66 -56.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -120.2 100.54 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -176.003 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -22.43 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.178 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -96.27 -4.93 41.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 3.9 t80 -42.46 155.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -156.15 156.2 33.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 6.1 mt -79.96 148.48 31.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.3 m -76.19 156.31 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 177.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.18 -31.06 51.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -39.37 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -76.88 -44.07 33.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.213 -174.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.414 ' HA ' ' CG2' ' A' ' 242' ' ' ILE . 2.3 mp -62.88 -35.77 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -178.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -52.24 -49.9 63.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -74.84 -51.46 7.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -175.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.459 HD12 ' CE3' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -56.97 -24.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -175.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.3 -36.89 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 110.298 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 91.1 p -56.07 -32.91 64.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . 0.463 HD21 ' O ' ' A' ' 90' ' ' PRO . 4.6 mt -87.43 -21.13 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -178.091 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.425 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 32.5 m-85 -141.06 -90.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.13 122.64 2.7 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 176.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.55 28.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.831 . . . . 0.0 111.04 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 123.79 8.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.362 1.243 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 178.201 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -142.15 137.59 31.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -177.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.45 170.18 0.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 173.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.19 4.36 18.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 111.032 177.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mp 53.84 96.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.769 . . . . 0.0 109.284 -177.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -178.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 pttm 178.52 121.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -176.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -66.47 149.6 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -94.46 -2.27 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -176.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -121.45 136.63 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -83.0 -35.78 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -74.39 77.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 178.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.22 149.17 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -177.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.96 151.13 47.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 173.262 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.57 170.97 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -166.19 141.74 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -177.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -100.34 113.67 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 174.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.53 -40.97 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -173.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -154.2 173.27 16.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -177.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.18 -167.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -117.85 144.01 33.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -177.786 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.98 73.4 4.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.264 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.54 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.21 159.62 28.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.68 26.52 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 172.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -67.89 -55.88 11.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.08 -35.68 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -177.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.96 90.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -176.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -52.67 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -177.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.78 -33.69 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -66.39 -42.63 87.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 -179.207 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.19 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 10.9 t -71.28 -58.29 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 176.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -43.67 -34.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 176.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 27.2 mttp -83.79 -45.12 13.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -175.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.97 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 28.7 mt -71.26 -53.57 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -178.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.21 -31.35 70.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -176.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.3 t -56.29 -37.05 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -178.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -87.62 -33.29 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -54.63 -23.79 18.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.33 -19.9 49.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -175.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.95 17.7 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -173.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 63.6 p -144.49 159.16 52.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 110.36 171.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.69 21.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 175.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.01 152.19 24.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -171.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 134.74 47.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 173.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -107.88 131.3 54.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -173.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.9 t -124.83 163.41 22.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 1.076 . . . . 0.0 109.955 176.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -118.39 150.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.99 133.98 53.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -72.35 -15.7 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -159.49 169.52 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 175.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.44 176.34 41.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 178.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -93.6 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.271 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.55 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 177.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.04 -49.93 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.63 89.86 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.91 90.75 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -178.403 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 144.21 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -177.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -156.21 160.41 39.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -178.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -111.03 140.52 45.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.25 168.17 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.55 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 6.1 m -139.61 -175.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 174.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 148' ' ' VAL . 7.4 mtp-105 33.61 -142.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 177.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.38 99.8 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 176.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.451 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 38.4 p-80 -100.13 54.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 178.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 58.92 63.45 5.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -177.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.619 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.6 p-10 -174.71 -174.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -172.292 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.6 t80 -113.74 2.5 15.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -175.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -113.49 92.82 24.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.035 176.119 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.52 30.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -175.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.55 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.7 m-30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 178.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.12 -153.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 178.304 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 4.4 t -36.41 116.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 176.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.36 146.21 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -126.95 165.94 18.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.555 178.145 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -159.74 161.59 34.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 174.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.483 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 59.6 m-85 -133.75 140.15 46.8 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 111.069 -171.207 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -53.37 150.01 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 175.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.092 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -171.625 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 18.3 m-20 -88.36 176.62 7.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.51 -39.16 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.41 150.46 36.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 176.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -116.75 112.03 20.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -89.46 123.19 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.67 145.62 27.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 173.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 19.4 t0 -78.92 109.2 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -174.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -23.08 53.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 177.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.5 49.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 176.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.13 153.96 16.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.321 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 23.5 tt0 -73.38 158.09 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 177.021 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.422 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 93.1 m95 -143.56 156.51 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.598 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 69.5 p -139.45 163.72 31.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 178.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -92.88 -11.21 34.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 177.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.51 -169.92 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 23.9 p -78.15 70.98 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -176.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 9.3 t -143.45 21.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 175.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.598 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 176.91 -133.47 2.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 42.4 m -88.84 87.73 7.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 110.422 170.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -52.15 110.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.374 -176.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.64 -57.4 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -174.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -52.49 -41.57 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -174.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -37.79 79.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 178.48 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.18 -34.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.31 82.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -178.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.65 89.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -66.64 -53.76 30.64 Favored 'General case' 0 N--CA 1.516 2.831 0 O-C-N 121.164 -0.96 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -57.47 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -54.28 -35.87 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.38 -176.01 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.67 43.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.062 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 74.1 m-70 -66.84 -38.53 86.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.546 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.0 t -65.0 -28.86 69.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.19 -105.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -175.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -143.27 12.04 2.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.078 -174.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.96 172.26 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.57 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.0 m-85 -151.34 -63.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.929 178.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.7 m170 -149.04 137.55 21.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.396 1.06 . . . . 0.0 109.682 -176.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -94.02 177.48 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -99.75 -39.85 8.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.243 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.07 157.45 36.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 215' ' ' THR . . . . . 0.41 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 70.4 p -94.88 -29.72 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -178.02 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -8.22 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 110.262 -176.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.65 -178.91 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -178.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.1 -48.65 6.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -174.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 94.3 mmm -67.86 -9.04 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -173.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.8 t80 -44.46 129.46 4.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 174.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 57.17 4.45 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 -176.606 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 149.29 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 174.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -75.74 145.74 40.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -169.62 122.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.688 177.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 5.1 m -110.23 134.67 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -177.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.7 tp -81.64 150.05 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.01 -44.38 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 110.406 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.74 104.26 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 175.459 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -63.53 -18.32 63.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -176.228 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -9.83 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -178.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -114.84 -5.69 12.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -176.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -49.77 141.93 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -177.734 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 4.1 mtt-85 -152.63 148.93 27.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 178.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.9 132.42 46.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 176.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 67.9 m -73.54 158.53 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 177.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -29.51 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 -178.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -50.96 -50.75 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 176.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.91 -48.58 62.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -173.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.51 -43.4 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.644 1.215 . . . . 0.0 109.334 -174.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -49.2 -43.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.42 -57.15 4.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.73 -29.42 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 109.253 -173.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -77.87 -39.75 42.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 p -60.68 -30.19 69.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.15 -19.1 25.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -139.78 -92.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.32 112.85 2.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 172.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.91 32.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.914 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.221 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' O ' ' CG2' ' A' ' 85' ' ' THR . 8.3 mtp180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' A' ' 84' ' ' ARG . 28.1 p -159.22 135.32 8.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.381 -169.403 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.07 169.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.904 176.739 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.574 1.829 . . . . 0.0 111.015 178.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.77 -7.8 6.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -174.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.3 mt 67.28 106.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 178.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.72 13.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? 175.55 125.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -64.65 151.02 45.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.95 -4.86 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -176.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -126.29 157.71 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.7 p -92.98 -38.2 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -75.32 88.16 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.554 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.195 . . . . 0.0 109.321 -177.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.9 148.1 51.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 174.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -137.57 174.34 10.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 176.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -163.59 147.76 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -177.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mm -102.97 117.43 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.36 172.103 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.56 -38.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -160.33 169.37 23.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.69 -177.3 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -175.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -109.36 143.96 28.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -175.291 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.42 6.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.28 -48.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.2 mt -104.63 157.31 34.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 168.81 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 173.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -63.82 -63.35 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -173.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -33.62 40.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.558 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.81 90.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -177.234 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.47 -52.81 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -178.28 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.56 -34.83 59.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 109.309 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -46.44 89.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.18 -41.57 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 24.1 t -72.16 -55.44 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 178.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -44.73 -33.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 176.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -85.38 -43.2 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -176.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.35 72.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 40.4 mt -71.54 -52.09 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -178.693 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.25 -34.6 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -178.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.83 -34.27 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.505 ' CZ3' HD11 ' A' ' 242' ' ' ILE . 61.7 m95 -86.74 -36.44 18.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.034 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.01 -24.42 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.87 -18.87 53.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 m -131.67 17.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -172.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.7 p -145.31 158.85 50.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.4 20.74 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 176.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.45 154.24 42.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -168.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -126.6 166.33 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 171.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.53 158.46 43.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.912 -174.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.3 m -154.78 150.0 27.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -98.27 152.67 19.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -178.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.0 mt -131.87 121.03 23.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 177.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -77.49 -10.45 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.416 1.073 . . . . 0.0 111.042 -177.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -151.0 172.49 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 176.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.16 -160.49 53.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 176.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.9 153.96 21.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 -178.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.27 161.45 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 177.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.19 -39.86 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 17.7 mt -119.93 86.43 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.61 87.38 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 136.35 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -175.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 p -143.9 164.93 29.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -172.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 15.0 m-85 -126.67 151.26 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 177.139 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.07 143.14 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 175.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.6 m -93.04 173.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 171.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' VAL . 20.7 mmt-85 39.9 -147.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 175.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.11 143.57 31.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.574 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 42.7 p-80 -158.51 30.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.631 -160.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.74 -91.47 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.571 1.17 . . . . 0.0 111.003 -178.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.516 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -73.46 -164.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.092 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.72 78.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -178.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.574 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.02 75.48 6.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.417 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.83 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -170.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 181' ' ' ASP . 6.4 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 111.0 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.17 -157.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 0.719 . . . . 0.0 109.278 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 49.0 t -42.66 117.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.76 -42.19 12.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 173.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.82 144.81 6.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.41 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 6.3 p-80 -133.9 161.76 33.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 178.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.12 175.54 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -175.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.72 165.83 26.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -176.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -52.07 163.72 0.66 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 -177.305 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.87 150.34 49.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -175.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.2 -36.79 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -75.79 158.46 32.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 -177.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.22 125.34 29.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 176.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -103.58 123.95 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.622 -174.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 8.1 m-85 -107.47 163.4 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.904 175.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.464 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -84.55 137.48 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.269 175.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.66 -22.67 14.39 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 177.391 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -78.19 -23.23 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -80.76 152.43 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -177.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -74.73 155.58 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 176.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -143.17 153.05 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 108.04 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.529 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 29.1 p -138.71 165.76 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.401 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -16.16 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -176.081 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -139.09 -177.08 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -176.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p -71.85 78.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.4 p -137.52 -51.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.529 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -110.14 -131.08 6.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 178.173 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 194' ' ' ASN . 23.4 m -88.72 79.08 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.736 . . . . 0.0 110.404 169.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 193' ' ' THR . 26.0 t-20 -39.9 111.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.256 -175.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.47 -50.69 72.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -172.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -50.77 -44.55 58.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.935 -175.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.57 -44.44 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.25 176.415 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.84 -35.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -175.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 178.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.96 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.385 -176.359 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -53.27 -48.83 67.96 Favored 'General case' 0 N--CA 1.515 2.803 0 O-C-N 121.189 -0.945 . . . . 0.0 110.874 174.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.4 -53.16 57.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.215 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -52.58 -39.27 53.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.612 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 63.7 m-70 -73.19 -36.58 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.575 178.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 67.9 m -67.08 -25.06 66.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.044 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.5 -102.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -155.81 23.84 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.585 1.178 . . . . 0.0 110.991 -176.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 210' ' ' PHE . 89.0 mt -118.34 -179.95 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 174.511 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.612 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -156.51 -60.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 177.221 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.9 m170 -149.54 124.54 10.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.615 -178.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 11.2 m -76.93 -94.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.987 -176.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 173.91 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -176.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . 0.403 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 2.3 t-20 -63.82 149.25 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 178.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.9 p -91.78 -14.38 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -178.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.08 -7.83 50.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.71 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -21.67 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 2.0 mtp -86.75 15.3 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.608 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.7 t80 -82.65 149.32 60.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 171.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.02 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -171.118 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 134.9 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.48 155.37 15.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -174.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.29 178.79 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 109.556 -178.42 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.2 t -165.42 -175.84 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.04 157.53 42.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 11.8 t -57.08 -31.4 65.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -146.45 123.86 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 177.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.476 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -94.75 -19.79 20.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -177.092 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -11.13 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -178.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -119.84 -6.32 10.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 1.3 t80 -43.01 152.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -174.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -156.16 157.23 35.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 173.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.96 138.58 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 -179.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 34.2 m -62.86 156.5 23.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 177.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -54.55 -29.28 50.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -38.92 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.73 -43.92 52.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -174.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.25 -37.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.98 -43.13 60.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.9 5.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -176.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.505 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.7 tp -57.48 -29.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 -174.031 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.03 -34.87 37.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.4 p -57.14 -29.77 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -178.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.09 -18.91 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -141.66 -96.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -176.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.26 117.38 3.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 177.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 168.66 24.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.04 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.428 1.752 . . . . 0.0 110.992 179.213 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 86' ' ' PHE . 81.9 p -110.84 -103.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 176.89 168.7 0.43 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.97 105.88 2.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -178.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.82 -8.9 34.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.937 -177.065 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.9 mt 48.38 72.0 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 -179.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.89 17.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 172.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -166.61 134.84 2.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -174.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.33 129.91 40.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 178.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -82.82 -4.24 57.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -174.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -116.04 152.48 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -178.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 p -90.54 -33.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -80.09 87.54 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.7 mt -89.34 161.51 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -176.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 152.07 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 174.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -141.9 172.58 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -164.22 147.45 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -177.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.74 115.78 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 174.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.37 -40.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -175.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -157.25 173.22 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.36 -173.54 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -176.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.27 144.19 29.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.369 -176.39 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 65.78 6.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.977 178.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -160.3 -48.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.99 158.05 32.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.98 28.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 170.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.09 -62.33 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -174.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.45 -36.59 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.5 92.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 -175.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.21 -53.7 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.46 -40.19 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' LYS . 3.0 t -57.46 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 -178.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.19 -36.69 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -178.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.78 -55.17 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 178.139 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.24 -29.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 173.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 41.9 mtpt -85.39 -54.33 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -176.063 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.75 -45.3 74.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.376 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.02 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.14 -41.19 96.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -177.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -33.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -177.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.496 ' CD1' HG23 ' A' ' 203' ' ' ILE . 91.6 m95 -89.53 -36.4 15.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.338 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -55.97 -23.33 31.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.29 -19.17 56.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.92 18.38 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.286 -174.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 69.1 p -144.72 160.04 48.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 171.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.86 20.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 174.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.85 157.1 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -172.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 p -139.24 133.81 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 172.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.86 132.17 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.933 -172.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 m -123.1 150.04 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.053 177.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 153.66 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.6 mt -126.71 111.89 14.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -55.99 -25.38 43.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -178.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -159.21 164.53 34.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 175.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.86 -167.0 22.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.1 146.12 24.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 110.352 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.74 43.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.43 -35.17 79.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -176.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.7 mt -120.25 84.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.76 88.54 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.15 143.2 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -174.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -152.76 159.13 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -176.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -111.36 141.28 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 173.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.87 161.49 42.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -175.235 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.477 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.1 m -131.33 -173.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 167.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 35.5 -154.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 177.803 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 104.31 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 173.599 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.649 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 21.7 p-80 -101.32 57.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.192 . . . . 0.0 109.626 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.53 66.17 2.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -177.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.649 ' OD2' ' CD2' ' A' ' 151' ' ' HIS . 2.8 p30 176.17 -169.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -170.108 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.04 20.58 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -177.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.636 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -125.06 90.42 51.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 166.694 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.2 36.29 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.477 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 6.9 m-30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 175.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.34 -154.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.9 t -38.27 111.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.33 -39.81 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 176.202 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.415 ' HB2' ' OE2' ' A' ' 202' ' ' GLU . . . -173.94 141.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 177.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.456 ' CE1' ' HE1' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -124.62 167.13 14.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.502 179.89 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 205' ' ' HIS . . . -158.15 170.6 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 176.098 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -139.56 141.52 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -175.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.08 154.48 19.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 173.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 110.941 -170.581 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.3 m-20 -88.4 176.97 6.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.13 -39.86 3.1 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 151.8 40.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 178.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -117.83 119.23 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.257 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -99.56 120.56 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -177.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 32.9 m-85 -97.04 146.62 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 174.476 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 10.3 t70 -73.37 104.93 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -178.075 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.54 -26.45 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.46 49.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 178.178 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -167.67 142.35 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -178.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -71.76 154.72 41.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.21 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -135.79 156.19 49.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 107.99 -177.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 15.1 p -141.87 171.94 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 176.165 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -112.29 29.56 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -170.92 -173.27 1.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 34.9 p -86.35 86.44 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.389 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.8 t -155.76 -41.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 177.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -115.72 -134.82 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 173.052 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 28.3 m -84.55 83.31 8.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 110.367 171.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -42.7 103.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.02 -57.81 8.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 -172.169 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -53.82 -36.34 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 111.01 -173.182 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -36.82 85.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 177.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 67.4 t -76.15 -38.13 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.15 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.17 71.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . 0.428 ' NE2' ' NE2' ' A' ' 205' ' ' HIS . 30.6 t60 -50.34 -56.31 11.86 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 121.158 -0.964 . . . . 0.0 110.828 174.54 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.553 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 1.2 mm-40 -50.04 -63.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.496 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.3 mp -47.69 -44.85 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -177.35 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.07 -46.57 20.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.074 -177.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 167' ' ' ALA . 83.8 m-70 -67.16 -43.99 80.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.583 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 20.5 m -59.56 -34.01 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -177.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 61.6 mt -73.52 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.6 35.8 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.508 ' HB3' ' SD ' ' A' ' 219' ' ' MET . 6.6 mt -116.45 172.27 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 176.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 29.6 m-85 -159.0 175.62 13.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.92 117.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.63 -172.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.9 m -78.82 168.73 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.91 19.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . 0.42 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 0.5 OUTLIER -66.14 145.97 55.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.337 -179.064 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.3 t -98.54 -8.7 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -178.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -87.26 -14.78 40.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.95 172.66 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -177.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.461 HD11 ' CE1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -99.95 -28.15 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 219' ' ' MET . . . . . 0.508 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 4.5 mtp -70.17 -16.44 63.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 110.982 -178.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 22.3 t80 -45.57 145.22 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.91 172.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.01 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 -167.131 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.56 144.47 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.51 161.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -144.19 156.7 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.14 165.83 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 178.044 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 20.6 tp -147.44 153.22 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 22.8 m -45.67 -38.11 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 178.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -134.59 113.29 11.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 177.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -67.33 -22.8 65.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 -175.434 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -15.85 63.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -178.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -105.12 -5.23 20.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -174.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 233' ' ' ARG . 0.0 OUTLIER -54.01 145.16 17.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 7.4 tpp180 -153.77 158.02 40.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 175.079 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.0 156.85 38.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.5 t -90.61 167.32 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 175.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -59.91 -30.95 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -176.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.45 -39.85 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -75.49 -47.59 26.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -174.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.31 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.51 -44.44 69.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.86 -49.25 7.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -176.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.462 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -60.58 -27.24 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -175.441 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.21 -40.65 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 40.8 t -55.73 -30.39 61.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.012 178.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.63 -28.61 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 109.361 178.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -139.54 -89.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -177.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.06 115.86 3.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 176.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.98 28.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 164.9 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.196 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -134.43 135.34 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.94 173.677 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.91 102.39 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -173.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.05 -10.8 6.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -170.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp 62.95 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.424 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.2 Cg_endo -75.04 126.71 10.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -178.04 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 50.0 pttt 172.17 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -177.233 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.428 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 86.7 m95 -71.1 161.2 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -92.83 -3.63 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -175.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -131.96 155.63 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -90.46 -38.93 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 -179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.28 85.89 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.14 162.0 18.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -176.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.36 154.14 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.445 175.434 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -143.94 173.32 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 175.069 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -161.86 145.89 12.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -176.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -103.27 113.53 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 174.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.07 -41.85 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -174.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -160.16 176.07 12.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.23 -172.97 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -175.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.27 142.85 26.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 -176.793 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 64.42 6.04 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 178.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -158.16 -48.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -98.22 160.65 27.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.91 36.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.005 171.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -51.08 57.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -172.53 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.56 -38.2 66.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.211 -179.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.32 87.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.229 -175.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.7 t -64.86 -49.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -176.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.89 -35.46 71.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 179.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.37 -44.59 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.11 54.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.058 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 20.1 t -69.35 -54.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.436 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -45.01 -35.67 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 176.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 8.5 mttp -75.07 -53.19 9.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.408 ' HB3' ' N ' ' A' ' 200' ' ' ALA . . . -54.4 -34.61 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.08 . . . . 0.0 109.277 -178.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 18.2 mt -69.74 -50.75 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -177.413 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -59.65 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.47 -35.37 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.488 ' CH2' HD13 ' A' ' 209' ' ' LEU . 76.0 m95 -90.25 -35.65 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 107.951 -177.477 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -55.43 -22.59 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.59 -18.72 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.234 -174.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.31 19.24 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.326 -174.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.2 p -145.2 158.91 50.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 171.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.39 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.571 1.827 . . . . 0.0 110.964 174.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.404 HD23 ' CE1' ' A' ' 246' ' ' TYR . 29.9 mt -65.49 155.57 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -171.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 p -134.34 134.61 41.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 173.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.47 124.9 50.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -173.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -112.54 143.87 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 154.26 19.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -177.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.5 mt -136.09 154.57 50.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 178.035 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -115.85 -1.87 12.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 177.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.88 170.15 22.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.3 -169.6 54.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 177.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.0 109.7 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 -178.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.58 164.11 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 178.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.93 -46.4 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.77 90.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.97 97.75 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.38 136.66 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -176.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -149.02 160.81 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -175.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 10.7 m-85 -119.71 148.93 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 174.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.92 141.95 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.95 159.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 170.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 51.32 -164.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 135.29 53.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.4 p-80 -135.97 22.45 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.592 -165.39 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.2 -87.53 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.459 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.44 -168.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 -177.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -94.75 75.05 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -176.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.85 80.69 3.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.573 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.11 39.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.944 -170.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.486 ' CE1' HG13 ' A' ' 163' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.996 -173.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.44 -154.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 178.226 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.486 HG13 ' CE1' ' A' ' 157' ' ' PHE . 16.8 t -36.36 115.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.6 -39.86 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.23 146.76 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -136.75 170.52 15.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.61 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -150.59 178.01 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -131.93 145.3 51.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.051 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -54.27 179.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 171.496 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.193 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 3.0 m120 -88.16 147.1 25.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -177.504 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 95.08 -23.68 32.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 -178.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.27 158.75 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.244 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.69 116.54 21.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 175.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -100.72 123.92 45.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.641 -176.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 28.3 m-85 -112.0 167.33 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 18.7 t0 -88.45 137.22 32.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 175.003 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 178.204 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.2 -26.56 56.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -177.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.8 152.64 29.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -177.894 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.78 155.98 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.343 177.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -144.92 152.53 40.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 108.018 179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.2 p -140.01 -174.9 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 177.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -118.29 16.43 13.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.368 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -155.44 -165.34 1.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.5 p -94.69 49.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.7 t -109.61 -28.69 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 173.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.19 -141.9 4.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 175.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.8 m -86.77 87.51 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.381 173.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -48.64 109.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.95 -54.88 42.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -176.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -48.0 -47.59 33.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -176.185 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -41.97 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.227 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 75.3 t -76.04 -32.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.71 -44.1 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 178.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . 0.408 ' N ' ' HB3' ' A' ' 120' ' ' ALA . . . -63.85 -42.41 97.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -178.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -62.74 -51.49 66.95 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 121.14 -0.975 . . . . 0.0 110.814 178.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -55.31 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -31.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -177.267 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.85 -46.33 83.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.956 177.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 79.0 m-70 -67.37 -36.45 81.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.626 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 t -62.75 -38.94 92.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.919 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.0 -101.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -173.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -151.09 27.17 1.0 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.488 HD13 ' CH2' ' A' ' 124' ' ' TRP . 92.1 mt -117.92 172.47 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 109.329 173.043 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.516 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 11.9 m-85 -153.15 -71.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.947 177.704 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 39.1 m170 -145.25 139.29 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.618 -174.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -113.81 173.42 6.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.066 -176.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.39 9.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 35.5 t30 -56.74 147.39 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 5.3 p -96.67 -17.62 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -177.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.05 -5.49 56.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 179.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.18 -177.24 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.38 -43.85 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -176.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 81.8 mmm -69.5 -9.44 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -175.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.611 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 14.5 t80 -44.56 141.66 2.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 173.198 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.611 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -167.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.71 133.77 43.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -46.98 147.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 -177.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -141.94 152.81 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.561 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 46.3 p -159.77 133.95 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.1 tp -95.78 154.04 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.0 p -47.6 -37.38 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 178.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -131.0 106.64 8.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.256 -178.613 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.6 p -74.67 -10.89 59.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 -178.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -111.34 -5.28 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -49.36 147.45 3.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.871 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.0 mtm180 -155.19 154.25 31.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 176.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.5 142.89 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 37.1 t -90.9 168.95 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 176.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -30.77 67.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 110.277 -178.029 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.54 -40.64 92.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.32 -49.38 56.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.371 -177.275 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 240' ' ' ASN . 2.6 mp -65.18 -35.33 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -176.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 239' ' ' ILE . 2.5 t-20 -37.13 -44.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -84.25 -47.35 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -176.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.418 ' CG2' ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -61.55 -17.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -174.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -95.36 -41.81 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 179.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 34.9 t -62.19 -35.94 80.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -178.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.7 mt -86.08 -15.3 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -177.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.428 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 13.8 m-85 -151.8 -93.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.434 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.08 125.82 1.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.68 26.5 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.445 1.761 . . . . 0.0 111.018 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.03 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 179.062 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -125.63 -139.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -175.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -170.04 171.01 3.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -175.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.08 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.96 -11.65 7.76 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -171.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 mt 64.07 114.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.02 122.55 7.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.595 1.84 . . . . 0.0 111.001 -179.168 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.1 ptpt 163.89 124.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -173.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -71.37 126.96 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 174.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.87 -13.6 56.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -176.597 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -102.9 158.85 15.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 176.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -94.75 -30.37 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 178.163 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -82.33 98.91 9.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.1 mt -97.27 151.04 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -177.242 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.55 146.54 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 172.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -138.85 171.58 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 111.032 177.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -164.88 148.89 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.25 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.54 113.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 172.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.19 -41.87 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -174.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -155.16 168.41 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.52 178.2 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -177.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.11 144.54 28.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -176.67 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.06 6.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -160.61 -48.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.94 158.38 31.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.59 35.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.962 170.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -56.18 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -172.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.18 -36.14 65.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -176.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.0 t -66.01 -53.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -178.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.47 55.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.273 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.0 t -59.12 -47.11 86.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.32 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.44 63.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.0 t -78.76 -50.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -47.88 -29.19 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 174.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' SER . 12.1 mttm -90.41 -50.78 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.253 -176.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.82 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.7 mt -55.42 -52.31 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -58.11 -40.14 80.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -176.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -32.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -178.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 209' ' ' LEU . 89.6 m95 -91.62 -32.89 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.045 -177.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.77 -23.81 19.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 177.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.01 -19.09 52.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -174.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.36 17.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -172.255 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.2 p -144.99 160.3 46.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 170.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.68 20.28 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 174.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.455 HD23 ' CE1' ' A' ' 246' ' ' TYR . 77.4 mt -65.69 157.09 31.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -170.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.6 p -131.01 157.82 41.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -128.65 134.74 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -175.292 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -125.9 151.82 46.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.006 179.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.3 149.89 21.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.289 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.3 mt -130.66 100.24 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 178.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -54.36 -26.17 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.76 160.43 42.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.339 175.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.44 -175.61 30.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.41 147.96 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 0.712 . . . . 0.0 110.276 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.98 155.54 46.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -62.48 -41.84 99.08 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.4 mt -115.47 83.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.55 87.51 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.087 -178.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.82 134.38 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 -175.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 166.32 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -174.355 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -125.36 155.99 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 177.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.6 142.63 11.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.373 177.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.5 m -105.97 -177.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 174.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 150' ' ' GLU . 9.1 ptm180 40.47 -160.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 176.716 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.442 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 3.9 tm-20 -64.41 112.05 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 176.509 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.2 p-80 -109.77 50.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.576 176.494 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.35 -169.51 6.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -177.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.55 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 1.3 m-20 60.05 178.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 109.356 176.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.1 t80 -86.94 -6.5 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 -173.002 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -117.73 94.5 46.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 179.261 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -176.83 3.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 173.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 45.47 -153.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.313 178.844 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.469 HG13 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -38.29 122.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 176.539 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.47 -36.49 8.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 175.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.54 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 2.0 p-80 -132.55 158.09 43.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 178.875 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -147.27 161.82 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.487 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 46.6 m-85 -136.88 163.87 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -173.068 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.38 176.03 0.24 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.108 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 175.65 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . 0.55 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.1 m-80 -86.87 155.67 20.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -176.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.52 -37.32 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.05 -179.131 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 29.0 t0 -75.58 148.67 38.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -119.75 119.71 34.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 22.6 m170 -88.82 127.85 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -176.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 16.4 m-85 -112.0 161.77 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 173.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -87.72 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 174.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.88 -26.88 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.93 -26.77 59.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.295 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.05 156.52 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.2 tt0 -73.62 155.57 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 176.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.404 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 80.7 m95 -146.26 154.36 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -136.36 174.35 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 175.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -112.14 17.95 19.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 174.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -163.52 -167.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -178.31 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.7 p -89.08 68.0 8.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.409 -176.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.5 t -144.63 21.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 176.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 178.55 -142.86 5.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.9 m -84.72 71.68 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 110.406 171.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 193' ' ' THR . 24.5 t-20 -39.39 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -176.334 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.13 -49.42 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 -171.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.64 -40.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -175.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -39.97 77.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 178.36 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.6 -30.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -62.65 -48.61 78.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.06 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -177.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.31 -49.73 76.7 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.124 -0.985 . . . . 0.0 110.833 175.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.3 -61.39 2.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 177.202 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -46.91 -40.82 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.01 -53.62 22.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -61.53 -38.06 86.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 109.653 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.9 t -63.13 -39.46 94.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 -178.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.11 -70.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -178.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.32 45.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 124' ' ' TRP . 8.5 mt -115.72 163.67 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 175.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 20.5 m-85 -156.32 166.81 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 174.085 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 210' ' ' PHE . 50.6 m170 -38.88 122.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.566 -173.061 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 30.3 t -80.96 -89.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -175.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 171.7 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -176.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.07 147.98 50.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 24.6 p -82.27 -27.05 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -178.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -12.62 60.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -177.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -82.12 143.54 31.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -11.73 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 174.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.2 tpt -80.47 -13.68 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.552 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.5 t80 -55.19 142.88 56.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 178.419 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.05 51.93 2.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -178.277 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.11 138.56 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 175.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -71.57 151.8 43.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 177.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -169.72 122.92 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.2 p -96.62 133.96 40.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 227' ' ' THR . 44.9 tp -90.49 137.82 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 178.265 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 227' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 226' ' ' LEU . 67.2 p -33.57 -61.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 100.52 7.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 176.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.58 -18.73 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -177.3 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -11.4 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -177.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -116.45 -5.89 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 -178.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 2.3 t80 -45.12 150.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -175.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 153.31 31.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.177 . . . . 0.0 110.319 179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . 0.409 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 7.7 mt -77.06 135.72 38.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 176.318 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 27.1 p -67.18 157.35 33.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -30.12 40.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -178.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -42.31 83.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -70.44 -44.65 67.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.394 -176.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.43 -37.2 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -177.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.34 -44.85 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.523 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.84 7.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -175.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -21.58 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -175.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -85.92 -45.65 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 24.1 p -51.09 -33.34 25.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.046 -177.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.13 -32.95 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . 0.455 ' CE1' HD23 ' A' ' 130' ' ' LEU . 28.1 m-85 -129.81 -93.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -178.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.7 117.02 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.167 . . . . 0.0 110.988 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 177.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.1 32.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.042 179.137 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.7 p -127.57 -157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 178.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.584 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -144.66 174.14 3.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -176.007 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.04 82.1 2.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 177.264 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.96 -11.79 4.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.143 . . . . 0.0 111.031 -173.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt 66.94 113.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.95 11.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.551 1.817 . . . . 0.0 111.065 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 pttt 175.59 120.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -178.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -69.65 148.31 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 107.996 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -89.07 -1.38 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -174.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 149.35 47.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 178.334 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -85.9 -29.41 23.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -73.46 80.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.6 mt -79.64 154.92 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.45 152.03 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 175.173 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -142.71 174.57 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -165.4 152.47 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -178.241 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mm -106.42 115.47 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 172.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.72 -38.91 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -174.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -159.21 168.04 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.565 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -122.42 179.24 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -176.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.81 142.52 24.97 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -177.855 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -75.01 66.84 6.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -161.56 -48.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 mt -102.29 157.0 34.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 165.52 31.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 170.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -62.94 -61.24 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -175.152 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.94 -37.79 33.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -176.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.55 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -175.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.05 -53.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -178.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.86 -33.81 57.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.666 1.229 . . . . 0.0 109.305 -178.229 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -62.72 -47.99 81.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.26 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 18.0 t -71.31 -54.32 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -44.48 -35.04 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 7.8 mttm -80.8 -49.63 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -176.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.4 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 21.7 mt -66.95 -51.23 57.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -60.93 -38.38 85.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -35.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.24 -179.232 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.558 ' CH2' HD11 ' A' ' 209' ' ' LEU . 64.5 m95 -88.48 -36.76 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.039 -177.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.79 -23.18 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.244 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.6 -18.89 50.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -174.504 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.87 19.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -174.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.9 p -144.09 158.92 54.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 170.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.14 21.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 175.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.56 156.81 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -171.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -134.16 134.82 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 174.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.86 130.6 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -174.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -119.0 149.85 40.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -91.71 151.97 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -178.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.5 mt -132.4 107.63 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 177.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -64.92 -18.4 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -178.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -160.39 166.02 30.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 174.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.28 -173.08 33.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 177.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.82 148.54 24.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.378 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.89 155.43 46.76 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.12 -35.9 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -176.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.55 81.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 178.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.74 88.73 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -178.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.3 133.61 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.8 p -140.58 156.25 46.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.955 -173.604 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -116.06 148.3 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.985 174.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.59 143.54 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 m -106.2 164.57 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 175.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 43.88 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 175.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.32 110.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 177.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.0 p-80 -111.65 35.26 3.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 171.823 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 78.72 -176.13 54.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -176.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.41 ' CB ' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER 61.9 -168.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 178.022 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.9 t80 -98.66 -1.98 39.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 -171.161 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.459 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -118.34 96.76 50.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.499 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 175.53 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.448 ' CE1' HG11 ' A' ' 163' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 178.416 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.27 -155.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 109.28 177.7 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -36.17 121.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.01 -40.2 9.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 176.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.08 142.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -135.33 161.09 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -145.48 170.58 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 73.8 m-85 -143.57 146.66 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -175.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -46.27 167.64 0.13 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 175.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.581 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.2 m-20 -88.97 154.77 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -175.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.24 -32.42 4.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 178.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -74.99 162.86 28.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.17 118.45 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 178.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -96.3 122.21 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -174.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 175.133 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.99 134.33 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 174.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.46 -23.69 13.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.162 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 53.94 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -176.298 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -167.2 168.38 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 172.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.97 155.82 34.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -176.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -144.16 157.55 44.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 177.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.581 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 18.7 p -140.38 172.63 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.46 176.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -115.89 20.86 14.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -163.79 176.12 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 -178.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.0 p -77.22 87.86 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.392 -177.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.2 t -156.94 -43.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 177.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.581 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -116.01 -137.54 6.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 173.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 70.6 m -80.93 87.94 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.445 171.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -51.88 105.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -177.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.18 -51.54 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 -173.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -55.46 -42.66 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -174.65 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -37.35 77.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 178.437 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.99 -32.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.07 87.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.38 -49.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -52.84 -50.27 64.08 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 121.119 -0.988 . . . . 0.0 110.84 177.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.93 -68.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.2 mp -51.62 -33.17 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.72 -48.44 29.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 177.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -72.05 -37.2 69.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.55 179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.7 t -57.36 -42.83 82.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.43 -86.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 -176.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.62 37.97 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . 0.558 HD11 ' CH2' ' A' ' 124' ' ' TRP . 7.0 mt -109.11 164.05 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 175.226 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.3 m-85 -158.14 164.12 36.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 176.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -37.72 126.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.585 -171.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 28.8 m -91.44 165.89 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -75.71 -33.93 60.34 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 178.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.28 149.27 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.235 178.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 215' ' ' THR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 68.1 p -105.43 -12.34 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.69 -4.91 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.5 163.81 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -177.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -16.54 54.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 177.125 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.41 -12.31 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 -177.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.534 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.3 t80 -60.72 132.75 91.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.397 1.061 . . . . 0.0 110.999 178.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.534 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.97 63.04 5.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 111.005 -179.218 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.0 132.47 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.99 144.93 53.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.14 123.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.663 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.2 p -105.68 134.24 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.1 tp -82.76 152.52 25.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 178.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.6 t -51.77 -27.8 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 178.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.23 106.53 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.213 176.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -70.68 -18.44 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.143 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 t -62.83 -6.93 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -113.63 -6.78 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -178.128 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -49.88 143.8 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -176.435 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . 0.473 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -152.84 153.34 32.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 177.308 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.0 134.25 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 176.328 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.6 p -67.49 169.88 8.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -63.03 -25.63 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -178.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.12 -41.03 97.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.24 -48.54 56.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -175.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.43 -41.81 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -176.444 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -45.81 45.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.89 -47.97 8.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -175.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -20.43 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -175.155 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -91.28 -36.74 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 20.3 m -56.49 -33.04 65.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -177.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -94.3 -14.21 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -176.092 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -138.81 -93.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 177.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.15 113.72 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 172.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.96 28.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 178.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 179.251 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.2 p -147.36 -75.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -175.233 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 174.16 167.91 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 173.886 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.99 111.94 3.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.715 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.25 -11.69 63.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.1 mt 49.5 71.02 1.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.05 13.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 170.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -159.39 149.96 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -176.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.49 135.44 56.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.019 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.88 -6.61 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -178.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.413 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 6.5 pttm -110.56 151.38 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 p -90.94 -32.46 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.421 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -74.78 76.17 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.28 156.24 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -177.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.12 156.45 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 175.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -149.78 170.84 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 178.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -165.73 137.43 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -176.156 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.0 mp -100.56 118.21 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 175.06 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.7 -40.81 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.214 -175.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -152.43 172.19 16.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -178.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -128.23 -172.36 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.925 -175.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.76 143.29 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -176.607 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.02 62.87 5.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 178.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.71 -48.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 mt -103.93 158.86 31.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.057 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 167.37 27.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 172.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -62.6 -62.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 -172.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.07 -35.16 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -175.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.1 93.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -176.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.44 -51.2 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 -179.263 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.77 -33.09 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -60.75 -46.43 90.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.36 -39.52 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -178.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.25 -51.74 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -45.24 -33.03 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.0 mttm -85.97 -53.62 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -175.717 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.13 -41.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -177.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.92 -53.5 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -33.27 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -173.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.16 -32.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.415 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.45 ' CZ3' HD11 ' A' ' 242' ' ' ILE . 85.2 m95 -86.76 -35.4 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.84 -26.56 36.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.54 -18.37 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 110.254 -176.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.4 m -131.04 17.2 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -173.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 77.7 p -144.9 159.71 49.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.59 21.47 Favored 'Trans proline' 0 C--N 1.362 1.261 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.56 153.75 26.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -172.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -134.5 134.57 41.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 173.405 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.83 141.9 37.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 111.018 -172.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -131.39 161.15 33.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -109.1 152.38 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.8 mt -131.67 136.75 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.337 178.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -88.89 -9.01 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -155.12 170.82 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 177.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.26 -169.4 49.61 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 177.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.69 106.81 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 110.304 -178.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.52 163.18 26.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.413 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -63.47 -43.38 97.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -178.405 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.6 mt -113.74 88.64 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.17 92.15 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.92 146.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -178.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 m -154.07 169.19 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -176.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 19.0 m-85 -127.31 149.55 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 176.237 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.03 146.31 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.3 m -105.66 153.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 176.026 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 45.6 -163.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 178.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.45 122.8 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 42.3 p-80 -131.87 37.53 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -171.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 104.67 -58.48 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.577 1.173 . . . . 0.0 110.987 172.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.483 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.4 p30 -73.6 175.34 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.743 . . . . 0.0 109.283 -173.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.8 t80 -83.43 -0.37 49.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -174.093 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.48 95.32 22.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 173.433 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -170.63 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.429 1.752 . . . . 0.0 110.958 -177.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' PHE . . . . . 0.4 ' CE1' HG11 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.195 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.44 -161.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 0.794 . . . . 0.0 109.377 178.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . 0.4 HG11 ' CE1' ' A' ' 157' ' ' PHE . 19.3 t -44.87 120.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.8 mt -88.84 -42.04 12.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.95 139.7 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 177.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 1.7 p-80 -130.97 163.69 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 -176.024 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.35 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.444 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER -142.95 145.07 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -176.805 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -50.54 173.91 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 173.838 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.945 -176.9 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 4.2 m-20 -88.64 157.1 18.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -176.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.87 -27.33 8.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 165.78 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 0.702 . . . . 0.0 109.356 -177.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.22 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 178.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -106.4 121.96 45.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.561 -175.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 30.8 m-85 -103.84 167.77 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 174.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.34 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -12.51 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.367 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.15 23.93 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -177.489 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -143.04 156.77 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.0 tt0 -73.47 156.25 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.423 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 87.4 m95 -143.51 155.73 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 107.995 177.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.525 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 0.1 OUTLIER -145.92 169.66 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 176.583 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 8.18 44.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 178.564 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.64 -164.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.7 p -96.22 57.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -176.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.7 t -124.8 10.59 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 173.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.525 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -170.52 -143.12 3.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 m -83.76 93.98 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 170.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.14 109.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -176.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.4 -57.73 6.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -173.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 196' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -52.09 -46.4 65.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 111.06 -174.047 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -35.77 81.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -177.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.66 -31.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.64 80.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -178.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -60.71 -47.67 85.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.31 -49.54 74.02 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 121.12 -0.988 . . . . 0.0 110.898 177.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 202' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -52.33 -61.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 177.713 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.08 -35.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -174.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.11 -43.99 83.54 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 178.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 205' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 44.2 m-70 -65.04 -35.26 80.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.593 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.3 m -71.45 -31.44 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -177.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.56 -99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -154.13 26.53 0.71 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.91 169.29 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 173.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 210' ' ' PHE . . . . . 0.629 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.2 m-85 -146.01 -57.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 172.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 41.4 m170 -149.23 123.51 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -178.097 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 79.6 p -78.94 -105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -177.291 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -179.55 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -176.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.7 149.9 29.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 75.6 p -86.56 -27.59 23.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -176.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.36 -3.31 58.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -176.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.97 -153.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.99 -50.2 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -174.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.3 mmm -66.04 -10.72 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -178.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . 0.521 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.8 t80 -45.75 133.21 6.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.916 174.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 221' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.23 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 109.305 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.5 144.1 54.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -145.04 123.96 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 -177.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 78.5 p -107.41 177.32 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 178.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.5 tp -155.25 146.17 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -51.14 -32.88 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.56 108.76 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 177.076 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -65.24 -18.03 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.222 -178.046 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -8.79 3.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.46 -6.02 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -176.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -55.89 143.27 32.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 111.03 -177.735 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -156.91 147.95 21.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.5 125.25 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 59.4 m -70.16 162.44 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.02 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.11 -28.51 40.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.31 -41.96 98.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.46 -47.99 76.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -178.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 239' ' ' ILE . . . . . 0.4 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.8 mp -67.91 -36.31 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -175.036 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -49.23 -44.67 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.48 3.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -177.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 242' ' ' ILE . . . . . 0.45 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.6 tp -53.91 -44.77 62.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 109.335 -173.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -71.63 -26.52 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -176.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 37.2 t -68.94 -29.15 67.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 177.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.33 -28.34 38.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 176.217 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -142.0 -90.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -176.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.48 119.16 3.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 177.062 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.22 27.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.45 7.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 178.223 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.528 0.204 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -156.97 179.19 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.7 p -116.86 -126.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.644 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 178.28 170.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -175.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.644 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.96 85.21 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.58 1.832 . . . . 0.0 111.008 177.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.4 -7.64 5.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.1 mt 67.15 115.96 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.48 12.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.2 pttp 176.91 123.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -74.47 149.82 40.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -84.59 -4.4 58.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -134.05 148.23 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.1 p -85.87 -34.77 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.83 85.36 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.74 162.27 18.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 150.38 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -143.49 169.98 16.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -166.04 138.09 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.45 114.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.3 t -73.82 -40.52 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -147.48 163.54 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.47 -172.68 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.75 143.2 28.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 -178.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.0 62.42 5.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.75 -48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.77 159.91 27.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.11 25.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.74 -34.47 52.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.34 86.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.35 -52.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -53.72 -33.44 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -42.25 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.1 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 25.4 t -68.79 -55.1 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.89 -34.8 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.98 -50.86 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.82 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.369 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 25.4 mt -61.62 -53.05 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -57.34 -40.45 78.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -52.29 -35.35 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.473 ' CE3' HD12 ' A' ' 242' ' ' ILE . 91.6 m95 -93.22 -30.79 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.11 -23.46 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.45 -19.36 53.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.5 m -129.73 17.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -171.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -145.92 160.54 43.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 168.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.14 20.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 111.011 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.3 mt -60.34 155.04 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.7 p -132.94 164.58 26.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -136.26 157.74 46.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -173.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -154.15 145.38 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -96.29 148.81 22.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.4 mt -125.74 111.15 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -55.48 -25.5 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -155.02 160.23 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.14 -172.44 17.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -105.77 102.9 12.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.343 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.81 161.95 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.25 -46.89 81.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.47 88.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.4 mtt -91.14 87.38 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.19 123.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -142.99 125.3 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 4.8 m-30 -85.04 160.87 19.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.81 141.51 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.2 m -96.43 164.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 41.35 -149.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.94 141.78 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.575 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 52.3 p-80 -156.66 48.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 84.63 179.93 51.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 46.04 -160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.57 75.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.575 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.31 67.59 5.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 176.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.72 2.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -168.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -52.39 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.23 103.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 57.17 -171.76 2.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 110.97 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 67.89 -165.67 44.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.046 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 51.34 -152.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 162' ' ' ASN . 41.0 t -37.08 116.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.72 -40.1 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 141.01 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -127.55 161.03 29.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.67 155.64 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -111.16 167.43 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.29 168.69 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 145.42 31.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.03 -178.63 29.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.64 41.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 72.51 -132.79 18.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 173.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -32.09 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -69.69 146.47 51.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.54 -30.86 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.93 167.84 21.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.76 . . . . 0.0 109.332 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.36 131.05 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 3.8 m170 -116.1 134.8 54.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.9 m-85 -102.71 -178.06 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -99.86 111.38 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.72 -17.79 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -89.74 49.91 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.51 151.12 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -74.24 154.72 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -142.85 155.88 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 -176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.564 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 24.4 p -144.61 172.53 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -112.87 19.45 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.32 -179.79 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.2 p -75.21 84.34 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.7 t -156.58 -43.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.564 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.4 -135.4 8.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 173.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 194' ' ' ASN . 91.9 m -99.56 78.63 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.387 167.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 193' ' ' THR . 16.0 t-20 -33.77 115.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -173.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.36 -58.41 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.46 -46.56 26.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 197' ' ' LEU . 0.3 OUTLIER -53.78 -40.99 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.28 -30.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -70.5 -38.5 74.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.32 -22.76 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -76.41 -59.13 2.9 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 121.132 -0.98 . . . . 0.0 110.824 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -52.81 -50.27 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.3 OUTLIER -53.81 -36.4 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -178.185 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.436 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -53.8 -44.45 70.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -61.79 -38.82 89.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.645 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 41.6 m -68.54 -36.29 78.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.11 -48.74 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 134.21 56.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 209' ' ' LEU . 1.5 pt? -163.24 145.86 10.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 171.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 211' ' ' HIS . 26.8 m-85 -120.0 -173.36 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 49.0 m170 -40.03 138.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.578 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.03 176.4 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -103.49 56.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 5.8 t-20 -154.82 145.91 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.5 t -90.12 -25.99 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.93 -14.12 59.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.92 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -15.65 30.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.7 mmm -80.05 -8.81 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.1 t80 -58.9 145.0 80.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.04 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.09 134.46 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -53.64 143.07 21.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -144.35 124.22 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 6.5 m -117.62 177.33 4.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.68 149.68 33.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.9 t -47.28 -35.73 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -142.52 98.07 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -65.17 -18.43 65.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -8.22 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.5 mmt-85 -116.34 -6.09 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.5 OUTLIER -44.57 152.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -175.457 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -157.21 156.47 32.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.97 142.18 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 159.03 31.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -54.28 -30.24 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -44.04 83.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -50.78 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 240' ' ' ASN . 2.1 mp -57.86 -38.94 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 239' ' ' ILE . 49.7 t-20 -38.34 -52.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.15 -49.2 6.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.473 HD12 ' CE3' ' A' ' 124' ' ' TRP . 0.4 OUTLIER -56.52 -27.36 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 -173.319 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 239' ' ' ILE . 0.0 OUTLIER -93.63 -40.13 10.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 8.0 m -58.79 -25.08 62.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.56 -16.37 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -143.72 -94.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 101.52 115.15 3.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.87 28.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.94 32.34 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.2 7.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.32 144.27 55.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -66.36 -53.27 31.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 255' ' ' THR . 0.7 OUTLIER -151.44 138.11 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 254' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.993 -1.479 . . . . 0.0 110.414 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.538 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.573 0.225 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.98 170.31 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.345 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -119.69 -114.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.634 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.86 170.38 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -178.145 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.634 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.12 81.66 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.51 -9.33 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -173.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.0 mt 66.2 112.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.41 10.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt 172.4 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -68.65 152.5 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 108.049 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -87.33 -4.79 59.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.54 143.39 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -86.88 -38.19 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -75.09 78.2 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.563 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.48 154.9 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.75 145.6 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 172.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -138.86 171.98 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -163.26 147.65 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -102.33 118.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -80.88 -40.36 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -152.03 166.33 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.49 156.38 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 1.3 t -79.79 143.14 57.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.9 64.23 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.75 -48.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.6 mt -101.07 158.13 32.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.43 22.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -64.77 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -37.98 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.47 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -53.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -34.44 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -57.46 -45.46 84.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.19 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 4.9 t -77.02 -52.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.369 1.043 . . . . 0.0 109.264 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' OE2' ' NZ ' ' A' ' 122' ' ' LYS . 9.3 tp10 -46.62 -30.07 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.2 mttm -88.84 -51.56 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.49 -39.74 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 76.7 mt -66.06 -53.13 42.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -56.8 -35.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -177.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.96 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.492 ' CH2' HD11 ' A' ' 209' ' ' LEU . 91.7 m95 -89.79 -29.7 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.007 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.49 -23.1 24.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.72 -19.61 51.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.61 16.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -171.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.9 p -144.66 159.25 51.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 171.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.76 20.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.13 154.56 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -170.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.8 p -135.38 134.48 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.24 145.22 40.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -141.81 146.37 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -95.25 150.96 19.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.9 mt -126.4 100.69 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.347 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -49.62 -30.18 8.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.33 163.36 36.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.357 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.27 -169.71 30.78 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -94.7 147.77 22.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.08 162.15 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.37 -42.79 98.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.92 94.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.2 mmt -90.8 82.31 5.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.09 131.4 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -153.05 142.22 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.1 m-30 -101.94 160.63 14.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . . . -165.88 143.76 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.5 m -93.95 167.37 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.8 OUTLIER 35.66 -134.91 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 176.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.7 141.61 56.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.614 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 56.7 p-80 -166.41 43.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 176.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.56 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 89.3 179.8 45.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER 43.59 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 177.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 154' ' ' PHE . 2.7 p90 -131.0 80.69 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 111.023 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.614 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.02 77.5 5.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 115.32 4.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.812 . . . . 0.0 111.026 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 158' ' ' ASP . 6.3 m-85 -79.2 132.0 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 157' ' ' PHE . 12.5 p-10 164.83 117.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 146.91 169.5 14.55 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 95.15 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . 91.78 -96.11 2.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.72 -162.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 162' ' ' ASN . 38.2 t -34.26 112.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 170.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.14 -40.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.9 2.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.59 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 7.4 p-80 -127.65 163.37 24.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -161.6 157.87 25.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -113.53 175.28 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.59 172.85 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 -174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 178.37 167.86 36.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 161.99 37.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 75.86 -120.48 5.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -17.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 0.802 . . . . 0.0 109.292 -173.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -85.79 163.12 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.52 -37.73 2.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.7 t0 -72.3 152.46 42.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.302 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -120.45 139.12 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.384 1.052 . . . . 0.0 109.378 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -121.06 136.25 55.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.619 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 30.0 m-85 -109.93 -178.92 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -95.12 134.79 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.86 -20.66 14.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.46 51.56 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -163.98 153.5 14.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.502 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 56.8 tp60 -74.38 154.99 38.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.264 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.502 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 95.2 m95 -143.72 156.68 44.6 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.571 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 31.7 p -134.56 163.47 29.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -92.05 -24.1 19.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -134.42 -172.03 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.3 p -75.33 69.66 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.447 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.1 p -135.29 13.18 3.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 110.398 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.571 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 175.59 -139.01 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 27.6 m -84.01 87.15 7.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.428 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.65 114.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.84 -51.47 55.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -51.22 -54.39 26.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 -178.144 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -34.87 69.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.26 -31.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.78 -34.1 74.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -174.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -75.05 -59.02 2.93 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 121.202 -0.936 . . . . 0.0 110.835 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.23 -49.72 66.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.5 OUTLIER -54.28 -39.8 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -178.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.472 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -51.86 -41.7 52.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 87.8 m-70 -64.28 -42.12 96.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.644 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.7 t -64.61 -31.68 73.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.25 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -162.61 34.38 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.936 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.492 HD11 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.75 177.33 6.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 24.4 m-85 -152.74 -68.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.928 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 42.2 m170 -148.1 134.78 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.531 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 7.0 m -91.36 -99.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.459 1.1 . . . . 0.0 110.022 -175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 173.81 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.209 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.6 148.32 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.8 t -89.71 -21.84 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.55 -13.57 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.93 168.59 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.417 HD11 ' CZ ' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -98.86 -16.63 18.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 177.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 0.0 OUTLIER -81.87 -15.34 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -177.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.542 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 31.9 t80 -47.81 140.63 8.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.542 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.96 50.75 2.59 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 2.5 tp -168.04 150.55 5.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.54 149.9 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -158.56 123.12 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 149.66 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.055 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.4 tp -123.52 128.73 50.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 226' ' ' LEU . 27.5 m -34.72 -57.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -98.48 91.23 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -74.03 -18.34 60.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -174.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -7.0 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 229' ' ' LEU . 29.7 mtt-85 -114.72 -5.96 12.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.514 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.2 OUTLIER -52.35 144.34 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -177.33 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.489 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 6.4 ttt180 -154.49 155.68 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 174.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.406 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 8.7 mt -72.02 133.95 45.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.7 p -70.72 168.73 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -62.08 -27.84 69.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.11 -35.65 67.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -50.8 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.421 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.4 mp -59.16 -35.11 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.56 -49.0 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.58 -52.86 4.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.421 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.58 -46.33 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.227 -174.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -27.7 59.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -174.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -67.55 -38.2 83.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.37 -40.1 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -112.26 -90.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.92 112.81 2.76 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.51 26.83 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 177.86 8.05 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 110.925 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.31 162.43 29.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 42.4 t -151.63 76.95 7.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -75.4 162.9 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.03 -1.462 . . . . 0.0 110.371 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.401 ' C16' ' H36' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 34.7 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -64.58 168.01 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -130.41 134.57 47.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.394 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.69 170.8 0.27 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.65 6.72 12.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.6 mt 55.89 96.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.289 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt 172.56 123.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -65.08 156.19 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -94.65 -4.1 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 110.233 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -123.38 150.6 43.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.0 p -89.93 -30.7 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.9 74.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.58 159.13 30.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.251 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.93 149.39 50.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -139.88 173.47 11.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -165.42 146.25 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -101.59 115.96 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.94 -40.48 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -175.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -157.95 171.52 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -123.75 -170.74 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -116.01 143.89 31.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -177.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 67.46 5.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -162.63 -47.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.4 mt -104.85 158.36 32.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.01 23.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 171.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.81 -60.27 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -51.12 -35.63 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.23 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.61 -51.14 60.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.11 -34.59 63.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -60.78 -46.86 88.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.56 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.12 -52.1 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.36 -30.11 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -86.74 -53.46 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.32 -45.49 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.56 -52.62 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.44 -35.3 77.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -34.83 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.441 ' CD1' HG23 ' A' ' 203' ' ' ILE . 95.5 m95 -87.19 -33.25 19.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.77 -24.25 34.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.44 -18.23 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.88 21.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 242' ' ' ILE . 73.0 p -145.81 160.2 44.68 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 171.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.23 21.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 173.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.4 HD23 ' CE1' ' A' ' 246' ' ' TYR . 58.3 mt -58.39 156.27 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -172.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.6 p -137.75 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -106.46 125.49 51.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.2 t -106.25 162.1 13.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.37 146.99 28.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -133.24 136.12 45.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -95.4 -10.54 29.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.11 171.29 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.66 -175.78 45.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.3 104.42 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.48 160.02 26.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -39.47 94.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.4 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.8 mt -117.6 88.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -90.56 90.46 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.39 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -155.2 165.24 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.015 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -119.11 141.61 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.44 166.73 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 109.271 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.492 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -134.74 176.61 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 148' ' ' VAL . 19.7 ptp180 33.52 -153.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 33.3 tt0 -59.29 110.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.653 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 26.3 p-80 -120.15 26.5 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.661 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 112.63 38.1 1.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 155' ' ' TYR . 2.1 t0 178.22 -164.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -107.29 64.69 0.64 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.99 64.23 3.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 131.08 13.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 157' ' ' PHE . 4.3 m-30 -85.22 -131.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 111.073 171.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 t70 74.89 104.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 147.26 163.37 10.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.37 5.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 110.972 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.35 -130.75 11.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.5 -156.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.3 t -40.42 111.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.1 mt -80.01 -39.86 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.16 143.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.422 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -126.61 171.34 11.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -151.29 163.68 38.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -122.5 150.57 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -59.01 177.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 171.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.92 154.29 42.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 161.0 -134.76 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.938 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -168.11 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.81 -18.33 61.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -31.87 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -89.75 153.95 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.02 -22.98 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.49 166.38 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.241 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.76 106.61 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -93.66 120.2 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.594 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.46 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 40.7 m-85 -96.99 156.46 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.054 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -78.83 106.52 10.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -76.79 -29.36 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.97 52.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -164.03 146.68 9.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -71.91 154.86 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.223 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -139.93 155.77 47.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 29.5 p -138.09 179.5 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -118.32 14.12 13.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -162.36 179.24 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.5 p -79.43 77.89 5.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.6 t -143.42 -42.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -113.86 -134.57 5.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 32.6 m -92.21 88.43 6.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 110.389 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -48.83 117.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 199' ' ' ALA . 56.3 tp -69.04 -54.96 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -175.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.2 OUTLIER -51.84 -50.39 60.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.043 -176.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -35.21 73.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 t -76.5 -31.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -61.34 -40.17 93.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.07 -51.42 66.41 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.46 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 0.3 OUTLIER -51.94 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 177.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.4 mp -47.39 -41.81 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.55 -44.96 23.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -71.58 -39.57 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.1 t -59.25 -35.5 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.59 -67.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.41 53.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.92 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.49 126.92 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.733 . . . . 0.0 109.293 173.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 211' ' ' HIS . 35.3 m-85 -107.52 -176.16 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 210' ' ' PHE . 40.3 m170 -36.68 135.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.62 -173.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 p -92.3 -163.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -130.48 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.69 148.36 14.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.1 p -85.02 -23.46 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.396 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.7 -15.49 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -85.47 158.32 20.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.16 -27.22 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 219' ' ' MET . 0.0 OUTLIER -66.4 -19.89 65.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 17.4 t80 -44.18 143.18 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 172.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -74.92 -35.61 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -169.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 131.07 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -65.55 147.13 53.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.3 123.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 83.5 p -119.35 133.66 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 227' ' ' THR . 62.2 tp -82.79 126.71 32.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 226' ' ' LEU . 39.2 m -34.38 -58.49 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.463 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -97.98 90.02 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -65.78 -18.9 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -173.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -7.97 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 229' ' ' LEU . 18.2 mmm180 -111.51 -6.08 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.523 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.3 OUTLIER -54.62 144.99 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 -177.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -155.18 158.87 39.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 176.522 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.68 130.42 36.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 87.4 p -73.75 166.28 23.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -55.76 -31.87 62.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -58.88 -39.2 80.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.86 -45.21 59.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.434 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.5 mp -66.02 -34.68 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -52.54 -45.94 66.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.56 -57.59 4.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.492 HG12 ' CG2' ' A' ' 128' ' ' THR . 1.2 tp -52.57 -45.62 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.76 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.7 m -71.62 -31.86 67.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.938 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.46 -18.31 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.4 ' CE1' HD23 ' A' ' 130' ' ' LEU . 39.1 m-85 -146.5 -91.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.908 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.88 119.33 3.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.01 28.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.036 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 123.79 8.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 0.0 111.039 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.63 6.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.6 155.32 40.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 63.5 m -81.22 148.45 63.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.62 141.43 51.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.408 -179.617 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.467 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.407 0.146 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.51 152.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.7 p -131.34 138.63 49.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.6 OUTLIER -55.25 169.79 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 175.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.46 1.768 . . . . 0.0 111.046 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.9 -9.01 5.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.2 mt 66.44 104.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.378 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.53 13.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.3 pttt 177.65 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -62.78 153.92 31.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -88.97 -3.9 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.45 158.69 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 p -90.06 -31.67 17.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -74.68 92.81 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.612 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.6 mt -96.01 149.54 21.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.06 151.08 42.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 172.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -139.76 171.77 13.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -162.41 148.52 12.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.4 116.34 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.269 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.16 -40.37 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -157.72 172.05 19.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -128.69 -171.2 2.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -111.77 144.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.346 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 68.32 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.098 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.22 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -98.83 157.2 34.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.28 27.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 170.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -62.55 -63.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.49 -34.25 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.82 89.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.426 ' O ' ' HB1' ' A' ' 116' ' ' ALA . 41.0 t -65.31 -52.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.98 -37.54 64.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.946 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 113' ' ' VAL . . . -52.07 -42.21 62.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.391 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.45 -50.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -48.14 -28.05 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -88.62 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.84 -42.65 68.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.86 -50.98 67.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -60.48 -41.42 94.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -51.35 -31.92 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 209' ' ' LEU . 83.1 m95 -88.75 -34.46 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.99 -24.7 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 0.0 110.306 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -19.22 60.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.6 m -131.5 16.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 68.8 p -144.28 158.64 54.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.79 21.49 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.36 154.13 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -170.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.82 134.26 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.41 125.02 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 -172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.9 t -104.08 161.92 13.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 110.073 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -106.11 149.72 26.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.277 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 71.6 mt -136.44 144.43 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -109.26 -6.38 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.07 170.36 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -158.22 49.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -104.03 160.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.27 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.48 158.21 44.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -62.17 -37.66 86.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.12 86.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.21 89.2 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.51 143.39 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -152.42 153.29 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.069 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.37 147.93 33.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.18 144.14 19.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.8 156.01 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 169.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 54.04 -170.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.54 137.71 29.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CD2' ' OD1' ' A' ' 153' ' ' ASP . 25.2 p-80 -134.68 47.97 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -174.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.4 67.56 2.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.627 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.5 p-10 -178.04 -173.08 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -171.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.37 3.59 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.627 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -118.41 91.91 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 175.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 178.71 6.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 0.6 OUTLIER -136.13 -164.87 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.105 -175.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 1.7 t70 85.67 115.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 173.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 155.07 164.69 13.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 103.46 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.53 -126.74 7.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 52.81 -157.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 162' ' ' ASN . 58.3 t -36.98 116.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.72 -41.34 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.381 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.01 143.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.442 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 1.7 p-80 -134.35 165.85 24.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' A' ' 205' ' ' HIS . . . -156.67 171.17 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.57 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 54.7 m-85 -143.33 164.24 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -173.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -52.37 159.8 1.49 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.239 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.81 26.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.33 -174.73 42.18 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 101.31 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 94.01 -108.33 3.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.394 1.059 . . . . 0.0 110.97 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -31.67 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -171.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -86.72 146.44 26.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.24 -32.99 5.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 148.61 39.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -114.05 130.61 56.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -110.25 121.06 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.622 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.511 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 44.8 m-85 -103.65 168.86 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.36 132.7 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 -18.47 17.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 176.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.35 49.19 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.82 145.87 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -139.16 158.0 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.601 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 49.5 p -141.85 171.81 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.471 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -111.29 14.53 21.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -179.31 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.9 p -82.8 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.8 t -114.22 -16.58 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 110.432 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.601 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.38 -146.14 5.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 194' ' ' ASN . 96.0 m -88.45 74.69 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 167.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.4 t30 -34.81 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 199' ' ' ALA . 52.0 tp -72.68 -50.3 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -53.36 -48.0 68.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -177.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.457 ' CD2' ' C13' ' A' ' 256' ' ' INH . 0.5 OUTLIER -62.07 -34.96 77.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.23 -32.13 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -59.48 -39.18 82.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -56.3 -55.37 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -46.44 -55.48 7.37 Favored 'General case' 0 N--CA 1.513 2.709 0 O-C-N 121.119 -0.988 . . . . 0.0 110.874 174.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.511 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 1.1 mm-40 -50.07 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -48.73 -41.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -176.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.11 -49.5 30.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 167' ' ' ALA . 73.6 m-70 -62.63 -37.96 88.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 0.729 . . . . 0.0 109.598 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.2 t -67.42 -33.44 75.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.9 mt -77.36 -36.75 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.63 -9.81 4.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.576 HD11 ' CH2' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 32.1 m-85 -122.52 170.5 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 210' ' ' PHE . 49.1 m170 -42.58 130.74 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.538 -168.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 88.2 p -87.64 176.62 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.08 148.85 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 61.9 p -101.23 -22.49 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.19 -12.2 58.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.67 159.89 32.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 197' ' ' LEU . 0.1 OUTLIER -83.78 -21.3 32.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 178.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.96 -21.32 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.508 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.7 t80 -54.43 133.06 62.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.508 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.06 62.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 133.87 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . 0.448 ' HA ' ' C12' ' A' ' 256' ' ' INH . 78.2 t80 -53.87 151.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -156.9 123.76 5.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.6 t -116.18 175.59 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 227' ' ' THR . 20.6 tp -155.83 139.65 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 226' ' ' LEU . 71.1 p -34.69 -63.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.401 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.3 122.92 45.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -71.91 -18.09 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -174.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -6.32 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 229' ' ' LEU . 66.9 mtt-85 -106.41 -6.03 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -62.43 142.76 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -177.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -158.68 147.52 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.246 176.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.429 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 18.5 mt -67.44 122.41 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.4 p -61.86 171.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -31.8 69.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -56.99 -47.3 81.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.69 -50.45 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.438 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.9 mp -64.14 -37.42 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.27 -44.97 68.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.74 -53.14 4.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.438 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.49 -45.13 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 -174.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -26.57 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.8 m -72.73 -28.57 62.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.971 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.7 -17.7 47.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -143.12 -87.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 111.043 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.97 110.86 3.1 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 171.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 110.966 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.86 34.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.48 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -71.18 154.92 41.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.49 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.6 OUTLIER 169.61 -55.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -178.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -75.11 144.46 29.93 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.552 1.817 . . . . 0.0 110.979 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.2 77.41 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.425 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.457 ' C13' ' CD2' ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.473 0.178 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -148.18 171.48 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -140.9 135.24 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.39 172.07 0.3 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 110.969 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 171.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.74 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 mt 67.04 98.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.264 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.17 16.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.978 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 180.0 121.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.402 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 92.0 m95 -58.13 143.11 45.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.005 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -88.07 0.37 56.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.19 142.72 50.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -84.89 -33.76 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -74.24 88.93 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.573 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.96 156.43 16.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.83 152.28 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 174.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -146.05 170.94 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -165.44 143.5 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -101.41 115.36 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 174.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.02 -41.29 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -152.62 171.27 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -124.58 -178.49 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.19 143.19 27.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.974 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -48.86 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.6 157.43 33.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 164.91 32.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 110.958 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -60.57 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.16 -36.12 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.23 86.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.356 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.47 -54.46 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -32.97 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.5 t -58.94 -45.3 90.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.97 64.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 35.4 t -74.96 -56.43 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.48 -30.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 22.1 mttm -89.7 -48.9 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -175.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.6 -42.59 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 59.3 mt -60.43 -55.13 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.37 -34.93 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -33.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.418 ' CZ3' HD11 ' A' ' 234' ' ' LEU . 87.6 m95 -91.84 -31.5 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 108.079 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.43 -24.32 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.72 -19.3 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.57 17.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.3 p -144.65 159.78 49.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 170.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.57 20.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 174.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 246' ' ' TYR . 77.1 mt -63.8 157.41 24.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -169.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 p -134.32 161.84 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -134.34 136.48 43.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -124.55 155.2 39.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.956 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.84 143.09 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.314 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.94 105.85 8.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -48.22 -31.27 5.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 111.069 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.31 148.98 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 172.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.02 -162.63 28.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.61 48.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.0 148.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -62.81 -51.55 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mt -101.71 92.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 11.9 mtp -92.66 86.75 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.99 137.1 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m -146.54 161.81 39.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.391 1.057 . . . . 0.0 109.967 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -119.25 149.72 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.75 144.08 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.16 166.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 43.97 -164.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -53.67 121.65 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -119.82 48.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.633 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.6 61.79 6.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.562 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.4 OUTLIER -174.53 177.24 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 0.716 . . . . 0.0 109.309 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.3 t80 -83.22 -4.32 58.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 -170.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.42 89.16 20.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 177.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.3 4.86 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.53 155.93 11.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 110.959 173.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.77 -71.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 171.53 -126.23 1.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.95 18.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 110.971 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 76.88 -152.19 40.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.36 -154.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.474 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 162' ' ' ASN . 76.6 t -38.05 121.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.38 -39.74 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.68 143.29 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -130.11 164.67 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.599 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -159.59 169.28 24.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -144.8 144.18 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -48.29 171.51 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.412 ' C ' ' HB3' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 157.27 42.83 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.24 -124.56 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.562 1.164 . . . . 0.0 111.049 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.44 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.943 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.38 -17.36 64.04 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . 0.562 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.4 OUTLIER -84.06 -30.73 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 178.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.2 m-20 -85.66 151.85 23.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.77 -37.56 3.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -68.7 158.64 33.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.342 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.66 124.36 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -100.85 123.1 44.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.568 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 202' ' ' GLU . 16.7 m-85 -102.69 170.46 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -96.65 132.32 42.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -24.57 14.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.8 50.22 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 186' ' ' TRP . 18.2 tp10 -162.35 143.62 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.97 154.18 42.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 184' ' ' GLU . 94.5 m95 -141.9 155.81 45.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.568 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 20.8 p -140.08 168.74 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.409 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -111.32 29.24 7.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.375 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.61 176.18 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.3 p -74.56 71.72 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.396 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 37.7 p -133.1 -54.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.42 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.568 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -110.58 -134.68 6.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.4 m -79.38 77.05 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -41.85 105.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.76 -55.98 27.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 0.9 OUTLIER -47.3 -48.44 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -177.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -38.16 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.78 -32.95 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -67.03 -45.39 77.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.25 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.08 -58.72 3.12 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 121.079 -1.013 . . . . 0.0 110.898 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.15 -49.44 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 -179.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.4 OUTLIER -52.78 -38.11 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -53.92 -44.13 71.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 75.7 m-70 -60.45 -38.85 85.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.741 . . . . 0.0 109.612 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 70.1 m -71.9 -30.92 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.87 -95.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -159.42 37.06 0.48 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.445 1.091 . . . . 0.0 110.949 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.02 178.11 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.616 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 13.5 m-85 -154.29 -63.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.957 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -151.25 131.04 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 23.3 m -96.33 172.38 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.06 -37.51 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.25 147.84 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.4 t -95.55 -21.95 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.34 -8.26 59.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.86 160.37 31.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 218' ' ' LEU . 0.0 OUTLIER -87.42 -13.46 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 175.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -6.61 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 7.1 t80 -66.02 148.12 98.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.0 Cg_endo -75.03 1.64 7.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.43 1.753 . . . . 0.0 110.966 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.68 139.72 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -58.76 154.96 13.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 170.31 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.546 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.3 t -154.73 172.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.52 151.21 29.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 48.3 m -47.29 -51.93 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.27 122.6 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.99 -19.12 62.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -177.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 17.2 p -61.89 -9.2 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.41 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -113.1 -6.88 13.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 3.6 t80 -52.75 153.0 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.2 156.05 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.418 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 26.5 mt -77.66 137.28 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.5 m -69.58 155.23 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -34.02 58.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -40.19 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.9 -50.39 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.12 -38.61 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.08 -44.72 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.384 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.88 -50.96 6.1 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.404 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -59.96 -21.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.256 -175.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -87.27 -44.31 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.0 p -52.51 -33.89 47.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.68 -31.23 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.42 ' CE1' HD23 ' A' ' 130' ' ' LEU . 36.2 m-85 -133.7 -94.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.99 119.38 3.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.09 31.93 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.78 8.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -71.75 158.93 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 50.3 m -61.49 120.02 52.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 73.75 4.16 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.447 1.762 . . . . 0.0 111.062 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -19.89 57.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.989 -1.482 . . . . 0.0 110.406 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.4 ' O17' ' H54' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.9 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.504 0.192 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -141.6 161.14 38.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.7 p -139.85 135.32 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.458 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.4 OUTLIER -59.66 170.8 0.97 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 175.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.19 -7.01 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.1 mt 66.58 106.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.798 . . . . 0.0 109.265 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 130.94 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 pttp 177.61 123.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -61.46 159.25 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -89.86 -4.11 57.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.216 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -133.89 160.2 38.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 p -96.23 -33.42 12.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.416 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 76.22 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.671 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.43 157.44 28.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 150.02 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -143.09 172.07 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -165.11 144.75 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.95 119.77 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -79.78 -39.8 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -162.4 173.43 14.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 -172.17 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 110.987 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.91 143.36 28.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.93 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.26 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.52 156.87 35.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.24 35.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 110.963 170.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.1 -59.03 5.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.86 -36.74 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.96 89.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.51 -52.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.242 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.64 -34.65 59.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.2 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.49 -51.51 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -43.82 -35.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 13.6 mttp -82.84 -52.23 6.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -176.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.83 69.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.95 -54.63 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.3 69.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -172.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -32.47 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.93 -31.95 19.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.91 -25.96 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.35 -19.96 55.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.193 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.23 16.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.7 p -144.32 160.1 49.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 171.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.42 20.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.38 153.94 14.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -137.36 134.5 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.41 136.95 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.5 t -125.59 160.96 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.02 145.9 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.4 mt -126.68 139.27 53.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -98.01 -3.73 37.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.55 167.07 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.88 -168.46 54.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.41 1.068 . . . . 0.0 110.996 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.01 112.42 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 110.305 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.99 160.77 27.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.9 -35.48 80.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.21 84.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.08 88.58 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.53 142.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -151.73 164.41 37.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.9 m-85 -121.69 143.72 49.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 175.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.2 143.54 12.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.8 170.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 41.97 -160.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.15 141.68 58.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 27.5 p-80 -153.78 36.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -164.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 126.98 -90.98 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 2.4 t0 -71.47 -165.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.01 75.21 2.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.588 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.64 71.9 4.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.559 1.82 . . . . 0.0 111.014 -170.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -42.87 138.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 171.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.5 -62.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 160.9 -123.17 1.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.96 14.83 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.24 -158.01 45.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.57 -156.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 0.815 . . . . 0.0 109.311 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 157' ' ' PHE . 2.6 t -41.12 115.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.83 -40.22 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -167.12 142.52 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -130.55 160.27 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.19 166.44 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -119.35 160.24 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.941 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.448 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -66.02 177.31 0.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 169.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.99 133.73 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -168.22 -132.36 1.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.573 1.17 . . . . 0.0 110.948 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -171.87 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -66.89 -14.91 63.97 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -171.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.81 -26.68 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.275 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.7 m120 -88.26 169.32 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.02 -38.0 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 156.62 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.43 121.43 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 4.2 m170 -101.63 123.98 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.56 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 15.6 m-85 -101.89 162.8 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.9 135.33 35.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -23.2 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.399 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.78 49.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -161.51 150.98 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 9.1 tp-100 -76.05 155.06 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.438 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.7 m95 -143.86 154.55 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.533 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 17.0 p -138.86 172.6 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -104.02 -17.64 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.25 -177.07 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.6 p -71.66 78.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.4 p -137.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.376 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.533 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -122.11 -132.97 4.19 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.7 m -80.94 76.21 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 0.802 . . . . 0.0 110.359 171.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 193' ' ' THR . 55.9 t-20 -38.79 107.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.12 -56.42 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -172.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 3.5 t80 -49.75 -46.23 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -38.95 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 82.4 t -79.21 -35.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.03 79.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.67 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -49.61 -53.12 25.79 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.068 -1.02 . . . . 0.0 110.762 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 7.9 mm-40 -52.93 -61.73 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.8 -39.84 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.2 -40.86 37.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 59.0 m-70 -66.96 -40.84 87.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 0.808 . . . . 0.0 109.605 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 21.5 m -64.26 -28.72 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.8 mt -81.34 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -163.43 32.66 0.28 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.0 111.011 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.52 169.65 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.278 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.526 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 28.2 m-85 -149.37 -88.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -131.15 106.11 8.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 0.0 109.666 -172.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 18.1 m -74.81 171.92 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.042 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.35 18.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -60.57 147.96 39.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.0 t -97.91 -17.42 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.367 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.88 -4.85 57.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.17 173.42 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.49 -26.16 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 69.8 mmm -75.96 -12.11 60.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 12.5 t80 -55.93 144.34 58.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 176.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -75.05 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -169.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 137.89 32.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -53.88 157.67 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.27 167.24 28.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.652 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -157.57 179.02 9.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 13.8 tp -155.28 151.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 14.9 t -60.88 -26.23 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 106.62 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -67.2 -23.24 65.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -176.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 12.9 t -66.23 -9.31 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -105.76 -5.22 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -46.97 155.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -178.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -157.76 157.09 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.48 126.63 31.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 47.3 t -65.17 166.68 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -64.21 -26.83 68.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.7 -37.74 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.04 -48.96 21.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.16 -42.24 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -49.36 -47.89 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.72 -53.78 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -28.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 0.717 . . . . 0.0 109.305 -173.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -83.8 -35.28 24.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 25.1 p -62.73 -26.79 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.6 mt -86.41 -20.67 27.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -147.93 -88.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 111.003 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.09 118.37 2.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 166.98 27.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.94 30.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.971 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.39 153.48 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 1.3 t 72.74 147.53 0.12 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 64.07 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 255' ' ' THR . 44.9 mt-10 -137.28 158.32 44.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -178.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 254' ' ' GLU . 30.1 p . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.044 -1.455 . . . . 0.0 110.431 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.432 ' C16' ' H38' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -149.8 172.94 14.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -127.38 133.77 49.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.85 173.29 1.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 175.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.816 . . . . 0.0 111.007 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.18 4.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -173.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 mt 65.72 102.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.99 11.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.345 1.708 . . . . 0.0 110.947 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 174.41 123.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.76 155.28 23.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -88.65 -3.97 58.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -125.89 150.53 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 p -83.65 -38.33 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 110.388 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 108.98 17.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.616 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.17 166.2 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.384 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 151.12 50.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.09 172.14 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -162.41 145.2 11.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.68 116.6 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.06 -40.05 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -159.25 171.57 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -124.61 -171.6 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.86 143.31 28.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -176.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.97 65.6 6.03 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.002 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -160.34 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.78 159.25 29.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 168.09 25.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -59.0 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -38.21 27.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.13 88.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.19 -51.43 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -33.54 61.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -61.84 -42.42 99.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.979 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.3 71.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.39 1.056 . . . . 0.0 109.279 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.69 -51.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -45.68 -30.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 5.9 mtpm? -84.05 -59.41 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.4 -51.81 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -69.33 -24.53 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -172.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.461 ' CE3' HD11 ' A' ' 242' ' ' ILE . 94.1 m95 -84.83 -31.93 23.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 108.044 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.8 -24.51 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -19.19 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.6 m -127.99 15.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -172.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.7 p -147.64 161.63 34.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.473 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 246' ' ' TYR . 82.3 mt -64.31 155.32 32.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -170.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.8 p -131.76 167.33 19.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 171.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -139.08 152.56 47.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.0 m -145.45 152.33 39.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -98.99 151.85 20.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 73.8 mt -129.7 148.27 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -105.59 -5.23 20.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -154.99 171.06 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.99 -158.46 53.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.58 140.38 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.282 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -108.74 163.55 13.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.9 -40.36 97.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.17 88.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.96 88.71 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.67 143.88 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -152.72 163.42 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.076 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -117.83 151.94 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.045 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.12 166.37 29.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.566 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.2 m -134.6 -171.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 170.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.2 ptt85 37.42 -158.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.264 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.2 tm-20 -68.19 100.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 172.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -102.26 43.31 1.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 76.18 41.58 26.19 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.5 OUTLIER -166.36 177.41 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.0 t80 -89.81 -2.42 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -167.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -112.24 96.86 37.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 176.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.566 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.6 m-30 -108.27 127.25 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 170.04 116.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 151.66 167.57 15.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 97.33 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 110.897 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . 90.03 -97.75 2.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.3 -163.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 0.799 . . . . 0.0 109.291 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.1 t -34.82 116.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 171.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.22 -37.29 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 175.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -174.99 141.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -124.77 164.45 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.61 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.54 171.73 19.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -142.14 158.66 43.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -176.238 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -58.67 -179.39 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.02 152.48 40.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.38 -128.1 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -169.64 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.96 -17.38 63.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . 0.534 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -82.76 -30.18 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 177.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -85.6 155.98 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.53 -37.68 2.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.77 164.11 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.314 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -137.68 116.21 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 25.3 m170 -90.31 124.42 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.558 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.86 150.08 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -82.87 111.2 18.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 109.322 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -25.25 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.72 51.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.84 152.29 11.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.228 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 26.8 tt0 -74.59 155.89 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.328 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.403 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 92.6 m95 -141.85 155.93 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.024 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.572 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 29.8 p -139.74 156.54 46.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 175.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -92.21 -20.92 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -115.64 -156.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.6 p -104.28 66.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.1 t -134.21 15.28 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.572 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -174.04 -139.17 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.4 m -85.95 90.24 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.43 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.02 109.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.58 -61.1 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -44.44 -50.25 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.459 ' O ' HD13 ' A' ' 218' ' ' LEU . 2.1 tt -57.69 -33.61 68.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 0.0 109.252 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.21 -33.47 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.89 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.21 89.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.327 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . 0.442 ' CE1' ' H44' ' A' ' 256' ' ' INH . 15.9 t60 -55.9 -54.72 41.19 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 121.212 -0.93 . . . . 0.0 110.942 172.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -59.39 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 175.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.34 -44.93 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -47.09 27.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -65.39 -41.43 93.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.767 . . . . 0.0 109.622 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.5 m -60.91 -36.72 80.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.67 -72.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.66 48.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 13.4 mt -124.25 165.41 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 0.815 . . . . 0.0 109.281 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 211' ' ' HIS . 57.2 m-85 -155.71 164.73 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.972 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 210' ' ' PHE . 41.0 m170 -42.34 129.7 3.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.563 -169.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 m -100.4 170.36 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.47 -34.59 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.48 146.04 54.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -95.65 -14.62 23.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.14 -11.38 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -85.04 147.71 26.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 197' ' ' LEU . 0.0 OUTLIER -81.06 -8.57 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 178.439 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' A' ' 219' ' ' MET . 8.1 tpp -82.48 -18.44 41.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 54.6 t80 -51.67 140.84 26.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.931 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.09 52.65 3.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 131.44 2.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 172.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -52.05 152.83 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -145.52 167.54 22.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 0.0 109.535 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.5 m -159.96 174.84 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.972 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.1 tp -147.99 149.96 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 9.7 t -52.3 -33.19 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.83 97.86 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -66.78 -24.63 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -173.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -21.63 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -100.87 -4.48 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 2.1 t80 -42.42 154.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.942 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 157.59 34.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.404 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 8.8 mt -81.2 137.31 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 89.7 p -69.93 164.88 22.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -30.35 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -177.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.94 -43.39 86.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.43 -43.55 69.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.614 1.196 . . . . 0.0 109.345 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -51.6 -44.36 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.94 -51.52 5.8 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.461 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -59.52 -26.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 -174.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.28 -40.13 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 m -55.54 -28.86 57.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 110.066 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.73 -32.73 23.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.412 ' CE1' HD23 ' A' ' 130' ' ' LEU . 39.0 m-85 -135.14 -91.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.96 119.74 4.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.89 25.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.98 32.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 161.67 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.471 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -61.75 -53.69 58.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -176.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.3 Cg_endo -75.01 87.6 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.28 75.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.279 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.031 -1.462 . . . . 0.0 110.315 -179.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.442 ' H44' ' CE1' ' A' ' 201' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.509 0.195 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -176.12 176.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.2 p -117.47 135.76 53.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.84 171.44 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 170.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.56 22.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp 57.25 100.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 129.87 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.06 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 pttp 179.0 123.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -74.9 151.58 38.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.182 . . . . 0.0 108.074 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.3 -3.99 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -174.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -135.32 150.58 50.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 p -87.11 -32.22 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -74.25 74.52 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.5 mt -70.96 158.99 35.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.23 150.1 51.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 110.41 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -144.4 174.96 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -162.53 147.71 12.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -105.98 116.95 50.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.27 -40.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -157.31 171.19 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -124.33 -170.14 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -112.81 143.25 28.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.438 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.98 66.79 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 111.027 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -161.67 -48.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.2 mt -102.64 159.42 29.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.73 32.74 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.527 1.804 . . . . 0.0 111.056 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -60.52 -61.93 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -35.03 61.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 -174.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.77 86.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.354 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.16 -54.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.23 -37.0 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.55 -41.6 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.35 -39.14 72.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 5.1 t -74.85 -55.89 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -46.3 -28.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.355 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 115' ' ' SER . 29.3 mtpt -85.94 -52.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.52 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 41.9 mt -62.16 -52.39 64.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -59.01 -36.58 75.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.75 -40.35 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -86.7 -30.76 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 107.962 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.52 -23.34 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.66 -17.68 55.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.88 18.81 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -171.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.3 p -148.79 161.53 32.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.402 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.08 20.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -57.94 155.54 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -171.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -137.26 133.9 35.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.98 154.88 19.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.0 m -152.07 152.39 32.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -100.4 153.85 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.4 mt -127.47 113.03 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -57.56 -24.64 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.99 165.43 36.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.06 -177.61 32.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.93 105.76 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 110.252 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.2 162.37 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.87 -39.56 94.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.9 mt -117.24 86.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.5 89.92 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.67 130.1 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.8 p -149.75 124.85 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.067 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.491 ' CE1' ' CD1' ' A' ' 180' ' ' PHE . 5.4 m-30 -86.27 155.36 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.94 142.34 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 167.73 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 41.76 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.222 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -52.49 137.46 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.757 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 41.7 p-80 -151.58 36.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.543 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.558 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 94.77 -175.64 34.21 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 1.2 t70 42.81 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.384 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.17 69.18 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.757 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -150.05 69.67 9.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 174.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.556 1.819 . . . . 0.0 111.05 -172.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.7 162.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 172.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -150.88 90.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.71 -167.28 4.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 171.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 66.88 -160.29 48.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 44.22 -148.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -176.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 162' ' ' ASN . 55.9 t -35.05 117.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 172.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.94 -38.81 11.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 174.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.23 141.87 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -131.62 169.28 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.632 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -156.96 151.48 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.15 147.37 37.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.436 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -58.72 177.22 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.97 157.21 43.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 167.45 -129.75 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.47 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -67.05 -14.51 63.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -171.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -22.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.201 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.19 164.16 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.48 -10.46 50.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.7 174.22 11.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.86 121.76 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -112.63 124.77 53.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.529 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.491 ' CD1' ' CE1' ' A' ' 146' ' ' PHE . 17.6 m-85 -102.5 172.9 6.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 171.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.74 108.15 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.51 -25.64 57.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.295 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -86.29 52.21 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -162.44 147.85 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.48 154.28 41.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.278 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -144.18 156.15 44.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.543 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 17.6 p -140.78 178.26 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -116.22 21.15 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.8 179.64 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.9 p -77.2 67.44 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 39.1 p -127.46 -46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.543 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -116.2 -131.01 4.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 29.8 m -90.06 95.94 10.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 170.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -52.91 108.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.02 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.23 -49.14 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -177.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.59 -36.22 75.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.06 -28.27 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -71.4 -38.62 71.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.243 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.75 66.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.13 -59.3 2.8 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 121.097 -1.002 . . . . 0.0 110.825 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -53.47 -52.09 60.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.3 OUTLIER -52.35 -38.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -55.64 -37.93 69.94 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -66.93 -36.64 82.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.585 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.6 t -70.32 -35.1 73.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.2 mt -73.06 -54.68 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.18 55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 110.914 171.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.97 149.99 30.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 166.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 211' ' ' HIS . 39.1 m-85 -123.86 -176.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 210' ' ' PHE . 65.1 m170 -40.66 138.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.618 -171.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.9 m -108.31 177.48 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 109.987 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.61 -47.99 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -54.8 148.49 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.212 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' THR . . . . . 0.423 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 11.6 t -94.34 -29.83 14.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.02 -17.72 62.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.14 137.32 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.067 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -13.69 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.327 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.0 tpp -83.51 -7.18 59.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 37.4 t80 -63.93 137.56 97.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -75.0 55.94 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.05 128.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -75.53 144.63 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -169.83 122.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 75.6 m -93.42 134.67 35.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.19 148.84 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.2 t -48.3 -36.71 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -137.13 106.22 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -65.33 -24.32 67.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -175.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.1 t -64.31 -14.61 57.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -103.33 -5.52 22.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 0.2 OUTLIER -45.27 147.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -177.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 146.16 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 176.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.77 139.01 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 3.5 m -77.73 158.62 29.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 110.059 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -31.46 44.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.338 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.12 -42.78 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.386 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.82 -48.74 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.92 -36.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -44.62 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.83 -51.11 5.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -23.23 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -91.94 -34.61 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.2 m -57.06 -30.7 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.02 -22.27 24.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -142.43 -93.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 111.105 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.21 120.29 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.15 31.87 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.94 7.94 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.22 144.91 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.484 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 168.58 -55.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -75.05 74.34 4.06 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 110.944 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.33 139.83 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.001 -1.476 . . . . 0.0 110.401 -179.421 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.484 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.47 0.176 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -142.67 159.93 41.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -125.53 134.24 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -64.47 171.69 2.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 175.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.93 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.85 -11.78 4.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 mt 65.76 102.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.82 11.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.071 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt 172.47 123.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.424 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 98.4 m95 -69.01 150.56 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 107.962 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.74 -4.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.7 154.11 38.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.8 p -94.62 -32.3 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -74.4 80.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.04 161.63 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 151.4 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -144.36 175.17 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.053 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -162.77 146.24 11.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.1 114.94 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.417 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.1 t -78.42 -39.83 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.68 173.28 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.96 -176.64 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -175.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 145.25 30.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 63.04 6.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.84 -48.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.07 157.57 33.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 165.16 31.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -60.72 -62.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.53 -34.11 57.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -174.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.17 83.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 109.243 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.59 -53.73 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -37.95 34.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -54.4 -43.49 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.84 66.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -79.09 -51.24 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.75 -25.53 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' SER . 40.9 mttm -91.55 -52.45 4.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.28 -47.77 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.66 -52.77 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.87 -27.43 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.8 -35.32 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.452 ' CH2' HD13 ' A' ' 209' ' ' LEU . 93.1 m95 -87.02 -28.43 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.078 -175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -51.95 -26.07 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.33 -20.14 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.287 -171.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.14 14.05 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.1 p -149.8 160.31 34.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 168.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.0 mt -57.79 153.88 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -171.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -138.32 134.22 33.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.35 129.86 55.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.9 t -111.99 162.86 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 142.31 34.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.8 112.88 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -70.8 -14.13 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -161.84 166.27 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 99.02 -178.53 30.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -97.53 99.88 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.367 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.38 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.73 -38.92 92.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.94 89.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 3.6 mtt -90.53 88.79 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.96 137.15 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.7 p -148.93 169.68 20.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 110.037 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.3 m-85 -124.61 152.32 43.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 176.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.85 142.75 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.9 164.11 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 42.27 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.16 129.89 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.65 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 46.7 p-80 -139.06 35.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.59 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 95.92 -173.5 30.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 0.8 OUTLIER 43.62 -157.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 175.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.63 71.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.65 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.88 72.6 5.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 176.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 1.0 OUTLIER -70.7 -167.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 177.682 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 5.2 t0 83.36 115.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 166.87 176.3 37.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 84.2 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.64 -106.34 2.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.65 -153.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 178.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' ASN . 77.9 t -37.46 122.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.84 -39.51 8.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -164.44 142.53 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -132.33 167.04 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -156.66 153.62 28.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -112.91 153.31 28.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.49 178.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 170.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.99 152.38 40.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 163.15 -133.7 3.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -168.69 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.783 . . . . 0.0 110.954 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.02 -18.51 62.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.393 1.058 . . . . 0.0 111.0 -169.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.32 -31.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.294 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -87.65 145.11 26.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.49 27.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.581 1.175 . . . . 0.0 110.999 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.99 159.83 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.03 122.15 27.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.288 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -106.26 123.6 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 25.4 m-85 -102.91 170.85 7.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 111.037 174.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -93.29 132.51 37.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.56 -21.89 15.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -88.14 51.41 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.56 152.65 16.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -72.7 155.11 40.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -144.95 156.75 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 107.945 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 20.3 p -140.66 174.68 10.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -115.51 24.33 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -169.08 -176.39 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.3 p -82.24 90.42 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.5 t -159.52 -44.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.403 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -112.54 -132.64 5.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 67.9 m -88.61 83.42 6.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.411 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -44.57 107.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.215 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.36 -54.34 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.437 ' CD2' HD12 ' A' ' 229' ' ' LEU . 0.4 OUTLIER -50.51 -46.68 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -176.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.401 ' CD2' ' H48' ' A' ' 256' ' ' INH . 0.7 OUTLIER -53.39 -38.43 63.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 45.0 t -79.4 -30.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.8 -45.65 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.53 67.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -76.19 -59.16 2.88 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.123 -0.986 . . . . 0.0 110.789 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.0 OUTLIER -53.9 -50.79 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.3 OUTLIER -54.37 -39.83 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -178.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.406 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -51.97 -43.88 55.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -63.15 -37.04 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.604 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.7 t -68.45 -43.31 77.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.107 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.47 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.92 50.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.929 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.452 HD13 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.12 165.32 19.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.506 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.7 m-85 -157.05 160.42 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 210' ' ' PHE . 57.1 m170 -35.82 118.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.562 -169.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.9 m -77.34 172.46 13.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.37 27.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -61.99 149.07 41.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -9.73 19.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.72 -4.86 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.74 152.9 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -12.4 60.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -13.0 59.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.963 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.605 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.4 t80 -66.82 139.85 95.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.95 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.605 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.72 132.78 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.66 149.42 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -135.95 172.51 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 51.0 m -163.53 168.58 19.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.2 tp -154.59 155.49 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -37.15 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 110.39 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 129.73 13.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 0.0 109.281 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -81.59 -19.43 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -175.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 5.9 t -61.49 -9.29 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -115.78 -6.09 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -48.51 154.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -156.72 156.45 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.438 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 5.1 mt -82.82 136.58 34.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.207 175.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.8 m -61.93 159.03 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.26 -27.46 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -57.7 -41.72 82.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.41 -45.0 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.448 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.8 mp -66.81 -37.73 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -44.78 63.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.7 -56.2 3.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.901 -175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.448 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.3 OUTLIER -54.61 -46.21 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -175.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -26.11 60.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 10.7 t -71.72 -33.1 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 7.0 mt -78.33 -16.7 57.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.424 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 39.8 m-85 -143.34 -89.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.11 115.57 3.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.567 1.825 . . . . 0.0 111.022 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.15 7.64 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.64 144.14 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 167.82 -54.78 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.0 Cg_endo -75.03 67.85 5.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.967 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.64 79.69 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.353 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.561 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.464 0.173 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -136.43 171.9 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.6 p -130.76 -109.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.98 168.42 0.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 111.059 -178.375 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.95 85.28 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.407 1.74 . . . . 0.0 111.014 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.26 -6.49 6.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.8 mt 67.01 116.51 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.599 0.823 . . . . 0.0 109.264 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.13 11.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 174.8 123.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.33 159.2 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 107.968 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.1 -3.9 58.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -134.1 156.74 47.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 p -90.81 -33.99 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.05 83.01 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.4 mt -83.84 158.98 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.19 152.5 44.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -145.31 169.52 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -167.09 140.76 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.47 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.55 113.7 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 174.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.68 -39.97 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.05 169.57 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -121.76 -179.26 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -107.43 141.88 23.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.92 69.02 5.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -163.56 -48.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.0 mt -99.37 157.53 33.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 163.91 34.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.71 -57.86 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -173.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 115' ' ' SER . 4.5 t70 -51.23 -39.02 55.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.11 91.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.13 -53.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -52.56 -33.69 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -64.91 -43.44 92.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.013 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.14 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.37 -51.81 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.67 -28.59 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 115' ' ' SER . 26.5 mttp -91.95 -47.66 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -175.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.4 -49.19 77.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.88 -53.86 49.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -61.38 -33.67 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.355 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.38 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.53 ' CH2' HD11 ' A' ' 209' ' ' LEU . 93.7 m95 -90.57 -31.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.99 -24.78 17.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.02 -18.57 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.79 17.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -173.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.0 p -145.71 159.05 48.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 171.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.78 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.8 mt -57.47 152.22 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 -171.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.79 134.98 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 173.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.9 134.54 51.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 110.976 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 m -123.25 144.78 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.09 153.55 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.3 mt -132.82 146.75 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -98.64 -9.09 25.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -155.5 174.65 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.22 52.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.34 104.76 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.268 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.37 158.35 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.72 -36.95 85.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.3 mt -117.14 85.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.85 91.15 7.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.3 149.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.9 t -155.5 161.44 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -117.88 134.27 55.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.65 167.02 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -174.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -132.21 -177.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 165.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 148' ' ' VAL . 9.5 ptm180 36.52 -157.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 177.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.455 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 0.8 OUTLIER -65.74 102.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 176.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.61 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 22.3 p-80 -105.14 -5.97 20.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.652 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.12 -87.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.487 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.28 -166.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.355 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -99.02 77.07 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.61 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.77 64.16 2.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -176.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.74 22.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -169.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 181' ' ' ASP . 10.2 m-30 -93.96 146.34 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 172.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.05 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -53.46 151.27 10.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 -175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.7 8.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.28 -117.39 4.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 44.27 -148.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 0.812 . . . . 0.0 109.314 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.3 t -33.62 109.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 173.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.0 -34.9 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.62 143.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.56 ' HA ' ' O5 ' ' A' ' 256' ' ' INH . 1.0 OUTLIER -118.93 167.2 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 176.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.83 172.14 18.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -127.64 167.32 16.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.427 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -67.3 173.95 2.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.95 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.062 -173.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -167.48 167.07 39.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.56 1.821 . . . . 0.0 111.008 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 81.67 -115.05 3.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -24.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.298 -171.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.13 165.13 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.9 -38.14 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 162.52 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.05 112.02 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -97.15 123.97 41.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -97.41 151.6 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.538 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 9.6 t70 -78.14 103.29 7.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.62 -24.78 56.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.12 50.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -168.71 147.55 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 52.9 tp60 -71.2 153.68 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.504 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 94.8 m95 -135.46 157.96 45.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.07 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.588 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.7 p -139.92 172.72 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -115.98 27.84 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -171.38 179.38 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.3 p -79.54 86.76 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.38 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.8 t -155.99 -42.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.376 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.588 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -116.97 -139.06 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 173.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 69.1 m -81.09 80.02 7.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.449 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.5 108.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.06 -55.69 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 -172.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.01 -42.59 49.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -38.24 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.64 -37.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.44 77.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.0 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.45 -53.03 9.35 Favored 'General case' 0 N--CA 1.514 2.751 0 O-C-N 121.153 -0.967 . . . . 0.0 110.851 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -51.7 52.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.91 -40.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.25 37.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 73.2 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.576 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.7 m -63.65 -29.7 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.936 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.16 -98.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -158.35 33.16 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.53 HD11 ' CH2' ' A' ' 124' ' ' TRP . 15.4 mt -120.58 173.62 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 15.7 m-85 -152.89 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 40.7 m170 -148.35 126.49 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -174.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 63.1 p -90.92 176.65 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.77 12.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.25 147.43 51.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' THR . . . . . 0.411 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 7.1 t -95.34 -15.84 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.419 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.14 -16.07 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -78.64 155.88 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 218' ' ' LEU . 0.0 OUTLIER -82.75 -13.58 56.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 7.9 tpt -81.92 -8.46 59.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.996 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.482 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 38.0 t80 -72.38 144.77 87.14 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.046 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.96 59.78 5.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -167.36 134.48 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -75.3 151.72 38.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.06 124.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 58.4 m -97.26 134.92 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 tp -86.34 155.09 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 12.0 t -54.99 -28.82 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.428 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . 0.424 ' OD2' ' NH1' ' A' ' 231' ' ' ARG . 0.0 OUTLIER -148.66 131.55 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 176.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.463 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -104.39 -19.18 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -175.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 8.0 t -60.94 -11.49 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . 0.424 ' NH1' ' OD2' ' A' ' 228' ' ' ASP . 0.1 OUTLIER -121.54 -5.54 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -38.52 149.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -176.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -153.09 150.02 28.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.404 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 10.6 mt -71.69 139.58 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 43.6 m -69.31 156.94 37.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -33.7 54.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -52.39 -43.09 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.6 -44.48 57.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.6 -35.92 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -50.47 58.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -50.84 6.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -28.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 -174.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -88.17 -35.33 17.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.1 t -57.94 -30.68 66.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.6 mt -91.26 -15.91 28.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.91 -89.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.07 122.29 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.571 1.827 . . . . 0.0 110.976 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 177.86 8.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.5 143.64 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.3 OUTLIER -72.74 -54.01 5.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -74.97 160.73 39.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.971 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -78.35 105.36 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.029 -1.462 . . . . 0.0 110.378 -179.472 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.606 ' C16' ' H38' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.489 0.185 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -143.15 167.56 21.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -133.95 134.96 43.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.2 OUTLIER -60.56 170.29 1.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 176.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 96.74 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 -8.77 6.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.421 1.075 . . . . 0.0 111.014 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 58.9 mt 67.13 106.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 129.72 12.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 pttp 176.97 124.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -67.94 155.56 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -86.08 -3.33 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CD ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.45 150.25 50.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -178.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 p -87.57 -30.37 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.601 1.188 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -76.52 92.39 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.612 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.449 HD22 ' CD ' ' A' ' 94' ' ' LYS . 51.2 mt -92.28 147.47 22.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.71 149.38 49.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.401 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 39.1 p90 -143.98 170.49 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.7 ttt-85 -165.51 138.84 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -99.62 115.99 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.34 -39.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 -170.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -141.12 167.22 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.72 -177.85 4.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.53 145.02 32.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -176.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 67.61 5.94 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.32 -47.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.52 158.56 31.55 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.7 24.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -61.87 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -170.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -28.27 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.12 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.47 -55.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.96 -34.1 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.89 -43.97 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.46 64.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 26.8 t -80.28 -49.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.8 -29.67 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 7.3 mttp -92.86 -49.36 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -174.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.12 74.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.441 HD23 ' CE1' ' A' ' 132' ' ' PHE . 89.1 mt -57.07 -53.94 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.87 74.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.37 -32.68 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.472 ' CH2' HD13 ' A' ' 209' ' ' LEU . 91.5 m95 -91.29 -31.52 16.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 108.032 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.57 -24.76 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.58 -18.88 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.2 m -129.52 16.5 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 49.4 p -146.48 160.79 40.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -8.91 20.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.11 155.94 7.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -131.06 159.11 38.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 121' ' ' LEU . 90.7 m-85 -136.8 142.3 42.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 111.019 -174.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.5 m -138.18 146.97 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.59 147.55 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.11 129.46 43.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -87.73 -10.3 51.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -159.73 170.85 20.63 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.16 174.9 49.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.67 101.09 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.97 164.0 27.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.51 -38.19 90.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.377 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 92.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.223 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 mtt -91.64 85.2 5.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.78 122.42 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 m -143.32 126.71 16.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.5 m-30 -84.57 164.16 18.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.973 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.7 143.47 5.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.4 m -101.92 152.5 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 53.33 -176.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.5 122.16 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -122.02 11.18 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 -171.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.6 64.43 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD2' ' CE1' ' A' ' 155' ' ' TYR . 19.0 t0 -174.81 -179.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -65.61 -19.29 65.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -114.58 96.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 136.13 19.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -81.75 171.83 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.012 172.08 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.25 104.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.66 -173.59 3.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.074 169.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -178.78 4.41 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 61.4 -160.46 27.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.405 1.066 . . . . 0.0 110.993 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.41 -153.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -36.43 118.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 175.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -39.74 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.31 142.51 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.454 ' NE2' ' HB2' ' A' ' 179' ' ' HIS . 0.8 OUTLIER -125.03 159.85 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.574 177.164 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 202' ' ' GLU . . . -157.16 154.94 30.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -131.49 152.35 50.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 -168.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.28 172.54 0.74 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.27 41.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.8 . . . . 0.0 111.049 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.41 0.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.06 2.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -69.44 -13.48 68.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -169.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . 0.44 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -90.49 -23.41 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.117 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.91 165.53 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.64 -36.58 3.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.69 168.77 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.84 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.493 ' CE1' ' HH ' ' A' ' 168' ' ' TYR . 19.8 m170 -112.69 137.13 51.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 0.0 109.615 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.506 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.0 m-85 -103.43 177.16 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 170.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -92.98 104.69 16.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.95 -23.11 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.34 49.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.25 151.28 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.44 154.28 38.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -143.04 154.79 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.556 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 17.1 p -137.88 170.63 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -110.09 18.01 20.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.87 176.48 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.1 p -73.95 74.16 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -135.98 -54.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.461 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.556 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -107.62 -131.91 6.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 176.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 77.3 m -85.12 82.53 8.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.417 169.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -43.66 107.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.77 -54.01 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 -173.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -50.74 -46.38 59.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 111.07 -176.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -37.55 68.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 -31.48 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -69.6 -46.95 65.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.68 -23.03 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.264 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -75.79 -60.7 2.2 Favored 'General case' 0 N--CA 1.514 2.744 0 O-C-N 121.176 -0.953 . . . . 0.0 110.826 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.2 pp20? -53.39 -50.43 65.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.297 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 204' ' ' GLY . 0.5 OUTLIER -52.63 -39.15 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.488 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.446 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -50.65 -46.37 47.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -64.88 -39.43 93.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.804 . . . . 0.0 109.591 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 15.3 t -61.0 -39.58 90.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.76 -67.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.247 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 162.43 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.472 HD13 ' CH2' ' A' ' 124' ' ' TRP . 10.7 mt -119.53 170.11 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 211' ' ' HIS . 78.0 m-85 -158.36 162.41 37.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -38.95 118.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.6 m -74.76 -92.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 173.12 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.21 149.3 33.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.37 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.2 t -89.05 -19.29 25.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.41 -16.72 57.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.252 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -82.66 139.34 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 5.3 tpt -71.75 -13.92 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.1 t80 -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.99 61.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.36 132.77 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -69.54 145.4 52.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -168.06 123.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.581 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 39.4 m -105.8 167.07 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 23.9 tp -125.13 155.34 40.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.5 p -46.23 -45.05 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.7 122.45 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.373 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -69.7 -20.05 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -176.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 11.5 t -61.75 -8.32 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -112.3 -6.47 14.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.387 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 4.5 t80 -54.6 153.13 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -157.96 157.48 33.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.401 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 10.0 mt -84.11 134.72 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 173.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 49.0 m -63.93 156.8 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -54.76 -28.2 46.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.44 -42.93 74.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -74.17 -46.52 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.36 -41.32 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -50.85 -45.98 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.21 -52.78 5.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.52 -26.26 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -87.31 -35.92 18.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.233 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 46.5 t -59.57 -26.11 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.92 -19.49 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.39 -90.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.74 118.51 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.97 28.1 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.05 31.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 177.23 8.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.64 144.47 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 61.7 m 48.03 69.76 2.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.71 30.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -153.45 172.68 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.002 -1.475 . . . . 0.0 110.427 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.8 165.89 26.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.0 p -134.41 135.29 42.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.32 170.92 0.84 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.39 -8.35 5.93 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt 66.84 105.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.24 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.794 . . . . 0.0 111.013 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.4 pttt 177.53 123.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -64.58 151.26 45.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.27 -3.67 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.467 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.82 155.44 50.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.077 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -88.92 -30.4 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -74.09 84.17 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.566 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.65 150.11 25.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.13 148.12 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.373 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -142.45 168.07 20.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 111.065 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -167.58 133.6 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -93.55 117.94 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.25 -41.88 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -156.03 169.72 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.51 -171.85 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 111.03 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -115.52 142.95 29.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 -177.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.02 67.72 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -162.85 -47.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.9 mt -103.43 159.72 28.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.54 31.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -64.12 -57.93 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.18 -35.69 62.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.91 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.32 -53.35 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.98 -33.51 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.14 54.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -43.15 -34.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 196' ' ' PHE . 11.0 mttp -90.39 -52.95 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.52 -42.99 67.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.06 -53.51 57.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.38 -35.69 74.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -30.6 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.527 ' CH2' HD11 ' A' ' 209' ' ' LEU . 96.2 m95 -93.08 -31.01 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 107.93 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.89 -23.68 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.2 -18.58 60.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.3 m -130.78 17.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.5 p -145.65 159.57 47.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.385 170.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.32 21.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 82.2 mt -56.1 155.4 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.9 p -134.12 133.94 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.39 132.11 54.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -171.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -124.95 163.1 23.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -114.26 153.09 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -131.93 130.39 41.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -81.83 -9.07 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -152.09 173.22 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.31 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.14 -168.37 54.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -109.98 108.02 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.95 159.69 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.587 1.18 . . . . 0.0 109.364 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.467 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.68 -39.81 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -177.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.9 mt -115.94 83.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.19 86.2 6.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.27 148.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -155.38 157.15 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.946 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -114.93 129.37 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.446 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . . . -141.66 171.61 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -174.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.563 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 5.4 m -142.66 179.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 32.75 -144.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 175.118 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.8 94.57 0.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.446 ' CG ' ' HB2' ' A' ' 147' ' ' ALA . 35.4 p-80 -105.18 44.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.639 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 65.8 62.62 4.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 8.5 p-10 -172.37 -174.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -172.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.7 t80 -112.45 -4.51 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.055 . . . . 0.0 111.001 -176.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.62 86.68 15.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.6 32.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.564 ' CZ ' ' CE1' ' A' ' 166' ' ' HIS . 11.1 m-30 -102.96 130.48 50.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.79 -60.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -47.31 147.18 3.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 129.66 12.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.47 -126.99 8.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 44.92 -149.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 162' ' ' ASN . 10.6 t -34.09 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -31.26 13.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 173.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.469 ' HB2' ' CD ' ' A' ' 202' ' ' GLU . . . -176.28 142.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.564 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.3 p-80 -117.53 163.85 15.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -160.26 168.94 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 163.55 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.54 177.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.68 41.31 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.568 1.825 . . . . 0.0 110.983 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 174.62 -122.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -173.24 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 110.938 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -67.76 -14.27 64.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -20.3 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.336 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.08 164.7 15.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.05 -37.36 2.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -74.3 148.81 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -121.83 115.07 21.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -92.89 121.99 34.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.45 ' CE2' ' OE1' ' A' ' 202' ' ' GLU . 29.8 m-85 -90.16 148.92 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 171.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.55 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.8 t0 -82.18 101.32 10.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -23.35 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.82 48.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -165.5 158.19 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 45.7 tt0 -74.18 157.04 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 82.2 m95 -146.83 156.41 43.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.038 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.574 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.3 p -139.74 175.83 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 172.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -109.42 18.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -163.4 -166.34 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.9 p -89.09 63.16 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 -176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.2 t -137.58 17.54 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.473 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.574 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -179.72 -144.48 5.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 36.8 m -81.55 80.8 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 0.723 . . . . 0.0 110.397 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -49.21 115.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.51 -52.25 41.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.0 OUTLIER -51.56 -35.28 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 -176.072 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -81.66 -31.06 32.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.236 -172.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.8 t -76.11 -33.68 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.27 84.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -53.35 -50.9 64.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . 0.466 ' CG ' ' H44' ' A' ' 256' ' ' INH . 25.1 t60 -50.31 -58.71 5.04 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 121.136 -0.977 . . . . 0.0 110.872 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.469 ' CD ' ' HB2' ' A' ' 165' ' ' ALA . 4.4 mt-10 -48.18 -60.51 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.239 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.3 mp -47.44 -43.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -46.81 -51.17 13.5 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -62.67 -42.13 99.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.63 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 14.8 t -58.26 -38.59 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.14 -73.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.211 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.04 41.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.527 HD11 ' CH2' ' A' ' 124' ' ' TRP . 9.1 mt -114.0 168.84 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 58.4 m-85 -159.77 165.79 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -45.79 122.8 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 77.4 p -82.74 167.04 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.59 -26.03 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.2 147.09 46.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -100.91 -12.47 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.57 -24.54 56.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.15 161.46 26.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -9.65 46.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.33 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.7 tpt -74.44 -27.03 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.601 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 65.7 t80 -46.93 140.55 6.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.601 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.94 60.64 5.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.569 1.826 . . . . 0.0 111.021 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.36 133.72 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -50.27 151.01 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -142.08 123.8 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.581 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.16 150.32 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 44.0 tp -140.36 137.62 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -40.71 -61.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.66 100.22 10.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -66.34 -19.49 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -177.069 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -5.88 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 229' ' ' LEU . 79.2 mtt180 -109.89 -5.49 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.506 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -64.5 143.41 57.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.006 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -157.22 156.89 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.446 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 16.2 mt -73.78 130.15 39.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 68.0 m -68.2 160.31 29.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.981 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -53.69 -33.29 54.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.57 -42.03 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -72.25 -42.04 66.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.433 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.6 mp -67.57 -36.81 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -177.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -44.28 73.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.21 -54.99 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.431 1.082 . . . . 0.0 110.981 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.433 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.41 -46.21 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -175.159 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.12 -26.15 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.2 t -72.0 -30.82 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.581 1.176 . . . . 0.0 110.055 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 3.6 mt -81.2 -18.4 46.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -139.27 -87.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.08 109.62 2.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.55 26.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.426 1.751 . . . . 0.0 110.998 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 165.43 31.38 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.53 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.094 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.62 144.44 56.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 33.4 m 64.87 151.99 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 120.05 5.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.543 1.812 . . . . 0.0 111.084 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -72.54 167.4 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.991 -1.48 . . . . 0.0 110.419 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.466 ' H44' ' CG ' ' A' ' 201' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.532 0.206 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -176.89 178.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -125.1 135.46 52.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -76.25 176.07 3.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.917 174.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.96 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.71 -13.76 5.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.3 mt 62.15 105.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.0 126.43 9.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.9 ptpt 170.25 123.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -67.21 167.5 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.16 . . . . 0.0 107.959 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -95.67 -2.58 47.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -129.56 151.86 49.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 p -86.52 -39.43 16.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -77.87 91.44 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.07 . . . . 0.0 109.591 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.46 167.1 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.01 149.92 52.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -141.81 173.75 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -166.15 140.31 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.82 115.87 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.31 -40.53 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -159.75 172.93 16.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.29 -175.22 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.58 144.04 28.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 -177.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -74.97 68.87 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -164.56 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -97.53 158.41 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.84 34.46 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.06 -58.5 7.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 -174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 -36.47 53.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.21 89.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.73 -52.65 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.37 -36.02 52.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -63.68 -40.6 97.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -177.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.61 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 7.8 t -72.21 -58.59 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 176.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.19 -33.17 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' SER . 14.5 mtpp -79.32 -49.23 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -178.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.15 -36.19 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 15.9 mt -66.95 -51.82 50.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.208 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -58.96 -38.04 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.16 -39.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.461 ' CE3' HD11 ' A' ' 242' ' ' ILE . 90.7 m95 -89.61 -32.58 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -176.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -54.68 -22.5 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.85 -19.92 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.24 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.7 m -128.98 17.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.1 p -144.8 160.58 46.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 170.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.449 HD23 ' CZ ' ' A' ' 246' ' ' TYR . 70.2 mt -61.78 155.94 21.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -131.75 165.04 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 171.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -137.03 125.59 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.5 t -108.34 162.13 14.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.07 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -105.7 147.81 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.21 140.29 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -105.97 -3.3 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -154.63 168.6 26.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.26 -168.48 54.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -108.99 111.44 23.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.257 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.35 160.62 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.31 -36.34 83.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.04 84.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.54 86.01 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.14 139.77 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 m -148.16 161.72 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.928 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.26 148.22 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 172.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.58 167.11 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.582 ' O ' ' C ' ' A' ' 149' ' ' ARG . 1.5 m -141.56 -174.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 174.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.582 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 26.48 -99.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 171.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -95.96 121.69 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.443 ' NE2' ' OD2' ' A' ' 153' ' ' ASP . 33.3 p-80 -156.32 32.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 174.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 83.12 -165.75 43.64 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.623 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.8 p30 48.97 -169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 0.803 . . . . 0.0 109.312 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -128.09 22.09 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -172.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.623 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.33 96.11 25.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 165.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.61 ' CE1' ' CE1' ' A' ' 166' ' ' HIS . 4.9 m-30 -112.3 131.99 55.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 159' ' ' GLY . 16.5 t70 -174.46 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 158' ' ' ASP . . . -35.93 135.04 0.58 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -175.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.26 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.398 1.736 . . . . 0.0 110.963 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.35 -121.33 6.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 43.96 -148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.361 175.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.5 t -34.1 110.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.01 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.32 145.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.61 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -120.38 161.94 20.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.26 36.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.85 161.3 35.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 -174.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -62.52 178.27 0.35 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 156.85 43.23 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.509 1.794 . . . . 0.0 111.076 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 170.21 -128.02 1.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -66.55 -14.39 62.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -170.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -26.92 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.3 m-20 -88.37 167.4 13.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.3 -38.86 2.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.37 160.19 29.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 0.725 . . . . 0.0 109.232 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.66 115.28 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.474 ' HB2' ' NE2' ' A' ' 166' ' ' HIS . 4.4 m170 -91.0 124.96 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.55 149.92 22.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.943 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 47.4 t0 -78.09 104.12 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . 0.403 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -73.23 -24.46 60.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 176.744 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 49.4 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 176.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.33 153.26 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 61.1 tp60 -74.54 156.24 37.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.4 m95 -143.91 156.69 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.585 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 26.1 p -139.35 171.96 13.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -108.2 7.0 27.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -175.22 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 26.7 p -77.2 61.54 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 38.8 p -131.01 9.34 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.585 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 179.32 -138.98 3.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 97.3 m -81.18 77.67 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.419 172.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -41.63 105.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.04 -54.87 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.255 -171.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.41 -49.26 25.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.418 ' CD2' ' H48' ' A' ' 256' ' ' INH . 0.8 OUTLIER -51.36 -38.53 53.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -178.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.22 -35.73 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.14 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.93 86.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 -56.24 24.8 Favored 'General case' 0 N--CA 1.515 2.789 0 O-C-N 121.205 -0.934 . . . . 0.0 110.819 173.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -52.19 60.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -39.31 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.221 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.43 -46.18 29.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 111.073 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -68.14 -41.44 81.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 0.813 . . . . 0.0 109.594 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -61.19 -34.7 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 -70.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 166.38 57.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.439 HD13 ' CH2' ' A' ' 124' ' ' TRP . 51.4 mt -139.73 154.68 47.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 0.715 . . . . 0.0 109.323 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 211' ' ' HIS . 46.3 m-85 -143.03 165.37 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 210' ' ' PHE . 60.5 m170 -39.49 126.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.597 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 33.5 m -97.16 174.45 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -87.51 -41.64 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.87 147.29 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.3 t -94.31 -22.83 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -65.43 -24.89 67.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.73 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.331 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' MET . . . . . 0.45 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.4 tpp -75.48 -21.83 57.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 176.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 36.0 t80 -49.68 138.35 17.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 176.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.94 57.23 4.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.081 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.96 132.46 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -74.49 142.76 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.23 123.94 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 55.5 p -97.92 -179.32 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.2 tp -142.96 151.79 41.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.9 p -45.97 -44.98 15.39 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.072 . . . . 0.0 110.432 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.17 98.97 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.62 -22.64 67.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -176.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.7 p -74.89 -5.1 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -106.49 -5.05 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.66 153.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.6 152.11 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 12.4 mt -72.57 149.02 44.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 78.2 p -84.98 167.41 15.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -57.68 -33.03 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -45.7 66.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.95 -48.83 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.54 -38.42 82.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.65 -47.2 67.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.46 -49.93 7.76 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.461 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -60.0 -24.58 30.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 0.738 . . . . 0.0 109.338 -175.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.51 -45.22 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.9 t -53.8 -28.91 37.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 14.9 mt -82.56 -32.69 28.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.449 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 2.8 m-85 -140.97 -83.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 88.99 122.68 2.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.98 28.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.76 . . . . 0.0 111.068 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.87 8.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.96 161.06 31.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 43.6 t -153.21 78.01 5.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.67 4.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.57 -30.07 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.011 -1.471 . . . . 0.0 110.366 179.305 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.418 ' H48' ' CD2' ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.6 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 -61.63 171.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 p -132.52 -109.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.417 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.646 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 177.61 167.59 0.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -177.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.646 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.0 85.07 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.013 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.83 6.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -173.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt 66.96 118.35 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.5 Cg_endo -74.9 126.81 10.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 49.5 pttt 172.73 123.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -65.65 164.36 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -87.66 -3.95 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -172.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 161.43 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.303 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 p -86.25 -29.91 22.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -85.4 102.79 13.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.92 161.63 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -176.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.87 159.6 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -150.92 169.22 22.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -166.31 129.67 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -90.63 111.88 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.21 -42.18 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -173.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -151.9 168.51 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -116.1 -177.28 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -113.92 142.05 27.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.382 -178.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.85 66.79 5.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.021 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -161.6 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.1 158.58 31.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 110.99 172.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -64.28 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.173 . . . . 0.0 109.368 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 115' ' ' SER . 0.0 OUTLIER -47.28 -39.42 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -178.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.44 98.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.09 -55.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -54.95 -33.17 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' ASP . 5.8 t -62.13 -50.09 73.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -38.13 31.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.55 -51.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -49.11 -28.33 4.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.4 mttm -89.67 -50.81 5.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -177.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.68 74.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -56.71 -55.19 37.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -62.32 -30.8 71.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -32.77 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.541 ' CH2' HD13 ' A' ' 209' ' ' LEU . 94.9 m95 -89.69 -28.22 19.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 108.02 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.19 -24.26 17.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 110.26 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.72 -19.23 52.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.4 17.89 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -174.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.7 p -145.12 158.35 52.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.15 19.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 173.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.425 HD23 ' CZ ' ' A' ' 246' ' ' TYR . 31.0 mt -66.44 154.21 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -128.98 167.86 16.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 171.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.06 154.43 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.7 m -155.61 145.11 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -96.91 153.33 17.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.24 154.4 46.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -103.14 -4.19 24.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.51 167.96 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.26 -173.84 54.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -106.55 103.18 12.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.78 163.78 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.01 -46.1 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.3 mt -113.93 91.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -92.15 116.21 28.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.18 140.48 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.35 164.1 38.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.6 m-85 -122.17 147.55 46.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.82 143.19 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.15 157.1 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 169.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 49.93 -166.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.343 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.76 144.02 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.662 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 50.8 p-80 -160.66 36.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.643 -163.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 124.28 -94.34 0.48 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -70.95 -173.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.3 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.0 t80 -90.97 80.97 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -157.56 78.64 3.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.07 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.44 4.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 2.2 m-85 -82.53 -169.34 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 177.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 6.9 t0 84.4 115.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.656 1.223 . . . . 0.0 109.263 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 165.89 178.52 38.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.31 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.37 -105.8 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 49.31 -157.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 109.245 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 57.4 t -37.54 116.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.21 -26.02 19.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 175.5 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -173.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.409 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 11.5 p-80 -145.11 170.28 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.618 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -149.62 172.33 15.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -122.26 158.18 30.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -52.29 166.17 0.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 123.19 7.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.573 1.828 . . . . 0.0 110.994 -170.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -176.98 169.54 41.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 154.87 42.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.792 . . . . 0.0 110.954 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.08 -120.96 5.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.54 1.15 . . . . 0.0 110.94 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -20.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 0.796 . . . . 0.0 109.256 -172.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.76 159.76 19.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.48 -37.24 2.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.18 146.67 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.242 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -112.47 117.78 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -98.37 130.9 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.534 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 21.8 m-85 -116.49 157.38 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 175.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -77.96 138.87 39.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -25.46 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.38 -25.03 59.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.02 151.55 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.9 155.76 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -139.79 155.91 47.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 108.008 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.6 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 38.2 p -141.54 161.78 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -99.83 14.69 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -163.06 -172.92 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.1 p -85.14 55.61 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 11.0 t -127.34 5.14 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.6 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -156.78 -143.55 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.057 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 194' ' ' ASN . 93.1 m -88.7 71.06 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.409 169.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 193' ' ' THR . 21.9 t-20 -34.91 113.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.52 -41.67 98.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -173.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -61.6 -39.74 92.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -174.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -38.2 87.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.36 -32.76 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.5 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.62 91.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . 0.508 ' CD2' ' N6 ' ' A' ' 256' ' ' INH . 68.5 t60 -58.23 -56.24 24.56 Favored 'General case' 0 N--CA 1.514 2.758 0 O-C-N 121.195 -0.941 . . . . 0.0 110.898 175.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.83 9.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -48.58 -42.03 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.9 -47.41 79.6 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -62.19 -34.66 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.588 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.1 m -70.65 -39.05 73.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.67 -67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 163.14 45.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.541 HD13 ' CH2' ' A' ' 124' ' ' TRP . 10.9 mt -121.16 168.64 11.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 0.713 . . . . 0.0 109.358 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 40.8 m-85 -159.18 171.54 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -46.14 122.68 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 32.0 m -84.75 174.17 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.963 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.63 -39.48 16.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . 0.419 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 8.4 t30 -59.43 146.5 39.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -99.42 -9.8 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.68 -4.73 40.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.88 159.53 24.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.203 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -21.99 34.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 5.9 tpt -72.64 -15.07 61.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 11.6 t80 -59.15 145.26 81.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -16.73 20.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.002 -170.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 140.33 31.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . 0.414 ' HA ' ' C10' ' A' ' 256' ' ' INH . 64.9 t80 -57.24 153.95 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -161.24 122.69 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.613 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 92.2 p -114.56 173.21 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.8 tp -140.26 147.29 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 6.4 t -47.35 -37.64 11.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.49 104.11 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -67.07 -17.49 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -174.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.6 t -61.51 -9.34 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -111.34 -6.13 14.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.2 OUTLIER -48.1 145.9 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.2 mtm180 -154.72 151.33 28.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 176.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.434 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 15.9 mt -69.31 138.99 54.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 42.7 t -77.46 168.57 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.47 -28.06 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.253 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.92 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.26 -47.77 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.417 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.8 mp -65.11 -35.35 75.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -49.16 -46.22 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.03 -53.96 4.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.9 OUTLIER -54.8 -45.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -174.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.8 m -71.37 -27.11 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.56 -16.32 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.425 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 3.7 m-85 -153.57 -82.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 84.64 126.27 1.45 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.452 1.095 . . . . 0.0 110.939 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.81 28.41 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.99 8.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.76 8.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.56 159.01 35.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 4.1 m -162.73 79.02 1.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 73.99 4.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -168.28 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.321 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.061 -1.447 . . . . 0.0 110.412 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.827 ' C3 ' ' O17' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 31.6 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.523 0.201 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -67.87 167.23 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -127.39 134.0 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.95 171.87 0.81 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.14 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.749 . . . . 0.0 110.997 175.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.9 -11.66 3.65 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -173.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mt 66.17 99.54 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 110.949 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt 177.15 123.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -59.77 152.67 22.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.047 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -90.74 -4.25 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -123.8 151.93 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 p -91.35 -31.72 15.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -74.89 76.52 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.627 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.53 158.14 32.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.34 145.72 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.37 169.7 17.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -95.57 116.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -40.73 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.18 168.48 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.55 -177.97 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -113.29 141.11 25.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 -177.337 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 69.46 5.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.94 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.6 mt -100.81 159.41 29.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 170.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -60.42 -60.8 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.62 -36.56 62.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -175.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.33 -56.01 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -51.38 -33.98 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.4 t -60.18 -46.29 90.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.77 -33.1 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.42 -52.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -26.78 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 173.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 45.7 mtpt -90.11 -53.17 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -175.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.31 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.88 -52.9 58.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -30.77 71.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -174.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.92 -35.34 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.482 ' CE3' HD12 ' A' ' 242' ' ' ILE . 98.0 m95 -86.74 -33.17 20.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -52.01 -27.49 13.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.46 -18.38 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.72 16.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -170.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.6 p -151.64 162.84 25.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.426 169.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -7.52 19.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 110.937 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.9 mt -59.64 154.51 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.227 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -136.74 134.53 37.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.75 137.18 47.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -126.9 164.11 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -113.35 153.16 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -132.76 135.29 45.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -89.18 -5.08 57.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.88 176.86 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.78 -149.84 31.99 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.15 100.54 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.793 . . . . 0.0 110.302 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.17 156.09 38.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -36.34 83.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.5 mt -118.47 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.6 mtt -91.15 90.29 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.2 149.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -155.09 158.64 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 23.5 m-85 -122.46 130.32 52.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.56 169.01 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.519 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.9 m -134.21 -169.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 170.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 38.51 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.18 103.2 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.497 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 37.7 p-80 -103.87 50.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 -176.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 67.87 63.53 3.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.726 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 4.9 p-10 -178.84 -170.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 -171.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.4 OUTLIER -125.3 14.73 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.726 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -114.28 93.54 31.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 167.055 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.13 31.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.519 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.3 m-30 -107.41 129.91 54.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 177.07 113.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.401 1.063 . . . . 0.0 109.315 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 151.27 144.97 4.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.027 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.1 3.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.47 -119.95 5.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 44.78 -152.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.0 t -38.11 115.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.44 -37.18 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.91 144.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -122.69 167.34 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.28 173.0 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.503 ' OH ' ' CE2' ' A' ' 155' ' ' TYR . 26.1 m-85 -143.01 159.59 41.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -175.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -53.34 162.61 1.13 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.03 43.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.2 -171.14 28.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.39 37.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.86 -134.58 14.68 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -25.71 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -69.43 139.88 54.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.75 -30.27 6.69 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.555 1.16 . . . . 0.0 110.926 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 157.62 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.91 111.55 9.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -94.33 124.1 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 17.0 m-85 -98.93 145.51 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 43.5 t0 -74.96 107.04 6.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . 0.405 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -74.74 -25.72 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.28 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.46 -11.73 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -106.24 141.4 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.02 153.67 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -129.51 157.47 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.57 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 23.6 p -146.67 162.53 38.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -104.24 13.55 32.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -175.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.15 178.82 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.9 p -74.8 68.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 24.9 p -133.71 -52.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.57 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.73 -133.9 8.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 176.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 194' ' ' ASN . 52.0 m -94.12 83.93 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 110.408 168.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 193' ' ' THR . 19.1 t-20 -37.1 109.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -174.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.39 -54.58 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.5 OUTLIER -51.11 -41.66 60.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 111.039 -174.549 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.95 -38.33 85.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.52 -34.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.85 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -58.58 -49.62 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . 0.424 ' CE1' ' H44' ' A' ' 256' ' ' INH . 21.4 t60 -52.83 -55.97 19.16 Favored 'General case' 0 N--CA 1.515 2.791 0 O-C-N 121.139 -0.975 . . . . 0.0 110.873 174.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -50.88 -61.41 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.254 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.3 mp -48.51 -45.4 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.23 20.58 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -68.39 -37.89 80.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.381 0.695 . . . . 0.0 109.556 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 72.1 m -68.93 -29.3 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.97 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 54.7 mt -73.16 -50.77 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.35 50.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 209' ' ' LEU . 0.9 OUTLIER -155.08 132.3 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 174.025 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 211' ' ' HIS . 22.2 m-85 -115.84 -178.31 3.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -171.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 210' ' ' PHE . 61.4 m170 -37.82 133.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.568 -170.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -96.21 168.6 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.76 -34.08 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.43 149.47 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.8 p -102.17 -3.85 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.06 -15.65 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -84.63 152.92 23.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -17.44 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -18.85 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 177.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 43.2 t80 -55.61 136.65 70.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.92 61.68 5.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.07 128.81 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.55 149.88 41.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 110.933 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -167.72 122.53 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.576 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.1 t -87.92 165.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 227' ' ' THR . 41.9 tp -137.09 126.03 24.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 226' ' ' LEU . 68.2 p -34.23 -62.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 110.381 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.81 87.89 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 13.0 t -67.83 -12.6 60.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -112.5 -5.5 14.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -48.23 145.03 3.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -147.42 160.01 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 177.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.93 133.87 35.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.8 p -67.74 169.0 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.074 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -31.61 64.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.04 -49.5 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.218 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.56 -40.77 88.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.5 mp -71.5 -39.37 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -53.94 -44.2 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.32 -56.97 4.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.482 HD12 ' CE3' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -54.3 -26.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -176.339 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -79.93 -43.03 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 53.9 p -58.83 -27.4 65.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.2 mt -91.02 -16.18 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.16 -93.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.87 118.92 3.89 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.14 23.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.565 1.824 . . . . 0.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 123.41 7.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.086 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.04 7.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 110.958 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.15 148.76 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 35.8 t -155.42 76.89 4.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.004 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 73.74 4.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.48 -34.14 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.424 179.603 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.424 ' H44' ' CE1' ' A' ' 201' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.8 p90 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.504 0.193 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -145.24 169.83 17.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -138.15 135.88 36.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.59 169.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 172.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.71 6.89 13.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.6 mt 58.02 101.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.376 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 129.1 12.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 pttt 178.85 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -69.17 150.65 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.03 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.2 -4.59 59.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 151.61 48.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -90.29 -33.91 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -79.41 84.43 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.44 158.71 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.0 150.46 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -141.58 174.29 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -160.82 149.94 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -109.36 118.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 173.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.92 -40.94 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -159.56 172.5 17.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.26 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -176.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.65 142.78 25.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 -176.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 64.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.583 1.833 . . . . 0.0 110.959 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -157.72 -49.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.37 158.3 34.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.59 35.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.058 170.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.55 -59.49 5.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.51 -35.48 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.27 86.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.01 -53.84 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.9 -39.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.3 t -54.95 -42.89 72.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 -177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.05 67.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.45 -53.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -30.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 115' ' ' SER . 5.8 mtpp -88.48 -53.91 4.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.55 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.04 -53.88 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -30.36 71.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -171.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -32.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' A' ' 209' ' ' LEU . 95.7 m95 -87.44 -24.83 24.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -23.77 40.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 -20.89 55.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -176.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.5 m -129.5 13.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -171.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.0 p -145.09 159.77 48.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.4 mt -63.04 153.27 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -167.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.5 p -134.74 135.59 42.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 172.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -110.77 147.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -171.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.9 m -143.12 153.71 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.89 152.65 21.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.8 mt -125.71 138.11 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -76.12 -13.36 60.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.97 170.11 15.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.17 160.86 36.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.62 90.59 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.75 167.99 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.45 -36.54 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.8 91.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.01 80.86 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.052 . . . . 0.0 110.977 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.17 141.69 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.9 t -155.28 158.26 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.15 145.05 40.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 174.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.05 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.4 m -105.06 170.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.39 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.3 ptt85 42.15 -162.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.37 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.27 126.68 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.1 p-80 -134.24 47.01 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.645 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 69.81 -157.51 53.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.533 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 2.5 p30 48.61 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.3 t80 -101.36 -5.98 24.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -174.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CD1' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.57 91.98 35.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 178.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.21 16.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.6 157.43 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 173.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -138.77 77.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 54.08 -156.81 6.32 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.587 1.179 . . . . 0.0 111.011 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.33 14.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.72 -162.25 34.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.55 -149.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 35.6 t -37.13 115.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.65 -41.46 15.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.447 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -171.85 142.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 173.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -125.75 158.64 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 -177.491 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -150.91 163.24 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.384 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.653 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 9.2 m-85 -139.2 156.48 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -55.18 174.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.16 21.03 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.41 -135.73 4.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -171.75 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.59 -14.53 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -36.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.334 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.3 m120 -87.5 163.54 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.74 -37.58 2.95 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.549 1.156 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 66.2 t0 -65.7 149.93 49.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -126.41 120.49 29.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 16.3 m170 -98.14 126.08 43.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.569 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 27.9 m-85 -96.71 174.47 6.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 171.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.62 130.27 45.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 -21.86 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.36 51.4 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -161.8 154.2 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 55.7 tp60 -74.7 154.21 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.496 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 92.6 m95 -146.68 156.01 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.52 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 5.7 p -140.77 177.09 8.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -117.24 26.07 10.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.42 178.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.5 p -75.04 72.03 2.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -134.02 -48.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.52 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -117.8 -135.32 5.33 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 194' ' ' ASN . 30.3 m -80.28 79.03 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.388 172.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 193' ' ' THR . 50.0 t-20 -34.82 108.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 69.8 tp -64.73 -65.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -44.82 -49.51 10.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 197' ' ' LEU . 1.6 tm? -55.61 -35.63 66.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.239 -176.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.64 -34.21 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.92 92.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.361 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.43 -51.59 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -44.07 -55.38 4.76 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.157 -0.965 . . . . 0.0 110.827 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.569 ' OE1' ' CZ ' ' A' ' 180' ' ' PHE . 4.7 mt-10 -51.24 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.07 -34.62 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.02 -48.5 38.52 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -67.33 -41.45 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.573 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 45.2 t -55.91 -39.67 71.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.046 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.99 -63.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 156.24 49.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.567 HD11 ' CH2' ' A' ' 124' ' ' TRP . 11.4 mt -122.2 168.92 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -156.45 168.75 26.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -42.88 120.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 58.5 p -86.63 174.45 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.5 -37.48 15.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.05 148.27 44.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.5 t -97.67 -19.73 18.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.71 -4.87 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -81.34 -179.48 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.38 -43.72 7.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -174.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 93.8 mmm -66.58 -17.04 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.624 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.7 t80 -43.41 137.55 2.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.624 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.36 133.41 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.8 144.35 56.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.102 . . . . 0.0 110.937 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -169.83 124.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.599 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 1.6 t -120.38 134.52 55.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.3 tp -82.77 130.01 35.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 226' ' ' LEU . 60.1 m -36.46 -60.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.17 90.7 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -62.1 -24.53 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -175.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -19.26 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -97.78 -5.52 34.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 8.5 t80 -47.0 152.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -158.0 158.23 34.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.464 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 61.4 mt -83.28 127.94 34.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 173.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 36.3 t -73.53 166.51 23.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -35.83 70.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 -174.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.29 -44.29 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.07 -41.65 73.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.437 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.5 mp -68.9 -35.63 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -44.42 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -81.94 -53.14 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.7 OUTLIER -54.3 -46.2 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -174.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -26.64 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -175.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 29.5 t -72.56 -30.41 64.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.06 -17.75 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -137.87 -87.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.95 110.92 2.4 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 168.36 25.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 164.88 32.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 177.87 7.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.86 165.79 22.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -58.63 -54.51 55.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -176.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.93 70.48 5.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.017 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -71.97 101.65 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.019 -1.467 . . . . 0.0 110.451 179.737 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.413 ' H36' ' C16' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.526 0.203 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -177.81 177.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.218 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.5 p -116.15 136.07 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.629 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 172.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.629 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.03 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 -173.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.91 -10.73 6.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -170.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.0 mt 63.95 112.67 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.312 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.45 11.5 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.1 pttp 173.75 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.41 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 61.0 m95 -73.94 156.79 37.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.011 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.13 -3.69 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -141.03 155.19 46.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -178.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 p -89.14 -28.85 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -74.22 80.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.7 mt -78.75 157.19 28.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -175.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.21 154.3 49.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.357 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -149.26 171.01 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 110.964 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -160.92 145.34 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.62 117.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.45 -39.31 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -162.64 173.39 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.35 -168.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -114.82 142.05 27.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -177.349 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -75.06 67.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -161.97 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -101.39 159.2 30.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.43 35.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 170.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -63.14 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -174.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.12 -37.44 54.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.56 84.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.39 -51.93 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.61 -34.26 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -64.13 -41.97 97.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.52 71.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.87 -55.14 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.44 -31.11 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 36.3 mtpt -82.25 -55.06 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.55 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.57 -49.25 71.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -34.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.448 ' CD1' HG23 ' A' ' 203' ' ' ILE . 82.9 m95 -91.69 -34.57 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -57.53 -23.21 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.265 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -17.53 51.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 m -126.91 20.67 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 242' ' ' ILE . 68.3 p -146.59 159.36 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.393 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.961 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.66 153.05 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 134.25 40.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -103.67 130.77 51.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.968 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -120.6 150.96 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.081 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -91.82 156.11 17.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.4 mt -134.59 115.4 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -60.74 -22.47 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.53 165.06 21.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.69 173.64 24.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.8 99.68 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.09 162.04 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.44 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -63.17 -47.84 80.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -178.199 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.23 86.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.64 95.68 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.85 144.34 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -155.1 163.35 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -118.19 137.63 52.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 173.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.441 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . . . -148.41 167.27 25.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -175.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.3 m -137.11 174.94 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 171.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.9 OUTLIER 33.67 -145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 178.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.49 100.75 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.573 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 36.1 p-80 -107.73 8.36 28.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.632 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 157.26 -90.74 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 4.7 t0 -72.34 -171.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -92.33 75.93 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.573 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.7 67.25 4.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.32 14.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.415 1.745 . . . . 0.0 110.973 -171.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.483 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 8.5 m-30 -87.2 128.55 35.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.93 -76.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -171.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.18 2.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.43 24.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.13 -162.91 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -157.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.65 118.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.97 -36.63 18.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' HB2' ' CD ' ' A' ' 202' ' ' GLU . . . -171.37 144.74 2.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 173.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.411 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -118.69 174.1 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 176.147 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -158.97 164.25 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -114.61 171.32 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.52 171.13 5.49 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 149.5 36.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 141.86 178.26 17.8 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 162.55 37.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.402 1.738 . . . . 0.0 110.975 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 76.55 -133.0 13.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 174.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -26.3 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -177.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.63 151.28 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.75 -32.89 4.37 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.5 39.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.715 . . . . 0.0 109.353 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.4 111.31 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -95.45 121.76 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CE2' ' OE1' ' A' ' 202' ' ' GLU . 22.1 m-85 -91.46 155.01 18.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -82.34 105.48 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.32 -24.33 59.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.38 47.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.279 176.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.79 150.68 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 0.0 110.264 -177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -74.6 155.18 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.342 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.83 156.71 45.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 108.023 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.55 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.5 p -144.97 159.87 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.47 28.19 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.13 177.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.4 p -69.96 74.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.6 p -139.73 -48.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.55 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -108.96 -132.55 6.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 194' ' ' ASN . 22.5 m -91.38 89.06 7.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 0.723 . . . . 0.0 110.383 168.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 193' ' ' THR . 18.2 t-20 -42.76 111.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.14 -45.67 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.5 OUTLIER -60.96 -38.35 85.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -174.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -38.52 88.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.34 -32.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.16 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.91 82.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -49.8 -55.95 12.19 Favored 'General case' 0 N--CA 1.514 2.737 0 O-C-N 121.153 -0.967 . . . . 0.0 110.899 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.413 ' CD ' ' HB2' ' A' ' 165' ' ' ALA . 3.1 mt-10 -50.51 -63.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 110.373 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.1 mp -50.91 -36.68 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -176.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -45.5 -45.17 11.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -66.17 -40.18 90.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.581 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.9 t -62.16 -44.57 96.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 39.4 mt -70.38 -53.47 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -172.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 144.61 56.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.46 141.03 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.325 166.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 211' ' ' HIS . 41.5 m-85 -118.22 -175.37 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 210' ' ' PHE . 55.3 m170 -37.93 126.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.0 m -95.08 173.31 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.81 -42.33 15.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.296 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.56 148.53 23.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 64.2 p -95.97 -26.09 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.38 -15.89 60.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.52 159.61 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -90.36 -27.83 19.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -176.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -18.79 64.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.441 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 44.8 t80 -59.9 138.16 90.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.441 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 64.39 6.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -177.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.16 139.39 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -75.6 144.74 41.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -171.83 123.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -100.84 135.23 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.81 164.0 27.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -41.81 -35.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -145.03 116.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.364 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.508 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -68.51 -22.58 64.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -174.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.78 -14.03 61.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -114.27 -5.58 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -43.22 143.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.476 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 2.8 ttp180 -143.94 161.63 38.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 176.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.57 135.66 34.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.2 t -68.69 168.19 13.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.28 70.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -55.08 -44.48 74.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.14 -51.83 61.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 240' ' ' ASN . 2.3 mp -61.06 -35.86 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 239' ' ' ILE . 32.2 t-20 -36.48 -48.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.64 -50.11 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.448 ' CD1' ' CE3' ' A' ' 124' ' ' TRP . 0.1 OUTLIER -59.62 -19.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -174.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.84 -43.85 7.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 28.9 t -58.42 -36.47 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 110.006 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.92 -15.56 44.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.41 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 19.8 m-85 -150.83 -93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.29 127.1 1.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 166.69 28.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.3 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 111.091 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -65.91 154.9 38.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 67.6 m 48.88 70.27 2.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.063 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 71.11 5.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.043 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.2 -46.29 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.031 -1.461 . . . . 0.0 110.397 179.602 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.487 0.184 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -69.7 -179.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -148.9 144.19 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.451 ' CE2' ' HB1' ' A' ' 169' ' ' ALA . 0.2 OUTLIER -57.15 169.71 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 170.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 173.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.21 -9.21 4.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.7 mt 67.51 103.22 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.8 pttt 178.93 122.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.41 143.86 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -80.33 -8.43 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -114.07 155.9 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.6 p -93.62 -32.16 14.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -80.98 89.72 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.9 mt -87.3 161.56 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.01 152.77 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -146.3 176.11 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -165.42 151.47 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.0 mm -108.83 116.42 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.98 -43.06 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 13.9 p-10 -152.98 170.94 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -133.34 156.14 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -76.21 144.06 74.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -175.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.94 74.04 4.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.94 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.364 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.61 157.46 35.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.584 1.178 . . . . 0.0 109.276 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.87 34.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.47 -60.89 3.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.16 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.243 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.4 -51.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.43 -34.83 62.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -60.48 -43.56 96.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.97 -45.16 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 31.1 t -68.67 -54.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -43.65 -37.88 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.5 mttt -74.12 -51.95 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.26 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.3 mt -67.22 -52.79 36.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.76 -34.78 76.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.04 -40.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.465 ' CE3' HD11 ' A' ' 242' ' ' ILE . 88.9 m95 -84.57 -31.83 24.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.99 -24.52 39.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -19.14 58.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.4 m -130.68 18.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.429 ' CG2' HG12 ' A' ' 242' ' ' ILE . 75.8 p -145.77 159.97 45.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 170.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.22 21.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.405 HD23 ' CE1' ' A' ' 246' ' ' TYR . 84.4 mt -57.51 154.68 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -136.45 134.54 37.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.47 124.82 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -105.99 163.34 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 144.47 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.89 133.46 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -97.52 -4.72 37.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -152.7 164.7 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.34 174.0 45.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.09 . . . . 0.0 111.049 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -92.93 95.47 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.297 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.82 162.02 7.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.69 -37.2 86.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.3 mt -115.4 84.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.69 84.45 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.43 137.35 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 t -151.39 163.88 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -175.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -116.08 156.85 25.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -158.87 142.72 15.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 m -107.92 159.23 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 48.4 -156.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.6 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.5 p-80 -135.43 26.47 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.635 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 87.08 -161.64 33.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 152' ' ' GLY . 2.3 p30 48.75 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 0.811 . . . . 0.0 109.339 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.5 t80 -97.26 -4.83 38.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -116.51 85.5 16.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 177.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.512 ' CE1' HG13 ' A' ' 163' ' ' VAL . 1.7 m-85 -113.34 -178.37 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 172.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 0.9 OUTLIER 158.76 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 172.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -55.29 148.86 24.37 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -169.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 149.93 37.95 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.573 1.828 . . . . 0.0 111.063 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.45 -139.13 28.61 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 45.51 -151.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.335 178.26 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.512 HG13 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -34.91 113.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 174.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.98 -35.32 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.76 142.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.0 p-80 -133.64 161.35 34.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.58 174.61 15.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.2 OUTLIER -141.55 137.01 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 -175.261 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 86' ' ' PHE . . . -56.86 155.4 15.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.72 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -171.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -164.12 -86.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.071 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -81.48 -12.41 81.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 -171.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -17.61 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.731 . . . . 0.0 109.23 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -85.93 174.01 9.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.23 -32.38 5.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.13 27.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.62 121.03 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -96.86 124.66 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.573 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 22.3 m-85 -105.8 162.85 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.976 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.55 127.15 36.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.5 -13.51 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.38 36.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.07 165.54 27.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -82.48 154.85 24.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -149.2 153.44 37.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.516 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 3.1 p -139.47 178.04 7.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -115.44 19.7 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.39 177.81 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 p -74.79 71.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 19.2 p -133.24 -46.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.417 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.516 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -118.9 -133.14 4.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.5 m -86.54 74.23 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.433 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 193' ' ' THR . 38.8 t30 -39.69 107.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.4 tp -56.42 -49.82 73.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -51.18 -44.38 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.94 -39.17 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.03 -32.97 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.86 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.27 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -56.6 -51.08 70.03 Favored 'General case' 0 N--CA 1.515 2.798 0 O-C-N 121.18 -0.95 . . . . 0.0 110.883 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 5.5 mm-40 -51.1 -59.97 3.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.78 -36.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.25 -46.4 43.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 67.8 m-70 -63.9 -37.89 89.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.9 t -69.61 -27.94 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.03 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.46 -101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -148.82 25.03 1.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 19.0 mt -122.38 169.23 11.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.621 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 17.2 m-85 -146.08 -55.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.055 . . . . 0.0 110.982 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -152.76 154.5 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 m -124.16 166.92 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.47 -30.71 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.75 148.1 40.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -95.77 -17.48 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.443 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.23 -23.89 63.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.28 159.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -20.08 26.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.7 tpt -69.38 -18.7 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 57.7 t80 -51.82 138.62 32.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 176.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 62.31 5.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.27 132.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 176.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -51.44 154.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -139.71 168.31 20.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 1.061 . . . . 0.0 109.547 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 65.4 p -166.63 164.21 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.015 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.58 154.0 33.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.5 m -50.42 -34.55 24.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -139.75 105.93 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -68.61 -23.46 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -175.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -10.5 25.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -106.61 -5.48 18.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.2 OUTLIER -58.22 145.85 35.91 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 5.2 ttt180 -155.84 155.79 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 21.8 mt -71.59 131.42 43.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 84.2 p -73.34 166.69 22.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -36.21 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.7 -43.04 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -70.72 -42.16 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.435 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.7 mp -67.82 -35.97 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -51.0 -43.34 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.46 -58.97 2.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.465 HD11 ' CE3' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -53.12 -45.67 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.328 -174.215 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.05 -24.7 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 45.0 t -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.12 -20.01 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.405 ' CE1' HD23 ' A' ' 130' ' ' LEU . 32.3 m-85 -144.38 -90.6 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.74 116.7 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.77 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.409 1.742 . . . . 0.0 111.018 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.97 32.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.38 8.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.56 144.5 51.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 56.8 m 48.04 68.09 3.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 64.5 6.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -104.08 143.79 32.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.995 -1.479 . . . . 0.0 110.448 -179.678 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.489 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.0 p90 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.495 0.188 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -151.52 171.55 17.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -134.55 134.55 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.72 171.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.88 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.07 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.9 -10.8 4.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.4 mt 66.31 102.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.328 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 pttp 178.96 122.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.25 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -63.54 150.99 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 107.989 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -85.41 -3.68 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.08 153.69 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -87.01 -31.61 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -74.95 86.03 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.58 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.9 mt -83.5 160.37 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.35 156.75 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -149.5 171.48 16.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -160.46 147.09 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.97 117.21 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.358 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.72 -38.43 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -163.0 168.31 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 -166.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -175.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.88 139.19 23.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 59.43 5.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -154.74 -47.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.13 157.71 33.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.31 25.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.29 -64.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -36.25 20.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.37 -46.24 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.16 -53.78 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.14 -35.87 60.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 119' ' ' LYS . 4.0 t -59.07 -48.8 80.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.24 -37.44 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.93 -51.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -47.27 -29.91 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.1 mttm -89.0 -51.66 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.33 -43.19 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.228 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.2 -54.34 45.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -32.37 72.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.186 . . . . 0.0 109.379 -172.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.419 ' O ' ' OG1' ' A' ' 128' ' ' THR . 96.7 m95 -88.8 -31.37 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.53 -23.17 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.07 -18.25 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 m -128.72 14.75 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 124' ' ' TRP . 0.7 OUTLIER -155.68 161.61 29.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 169.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.08 19.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.7 mt -60.63 152.76 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.6 p -130.88 167.53 18.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.369 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.01 155.32 50.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.3 m -154.24 146.88 24.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.927 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -92.53 150.49 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.363 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.97 113.5 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.73 -23.7 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -157.19 167.96 28.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.93 -176.87 29.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.15 104.88 15.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.557 0.798 . . . . 0.0 110.353 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.13 164.01 21.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -63.42 -46.2 87.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -178.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.8 mt -112.65 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.59 92.17 8.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.04 142.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -149.36 157.07 43.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.078 . . . . 0.0 110.01 -176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 13.0 m-85 -119.23 144.14 46.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.4 144.45 10.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.81 156.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 49.53 -173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 110.281 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.6 140.22 8.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.694 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 24.0 p-80 -147.11 30.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.579 -166.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 128.22 -91.51 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER -71.01 -173.44 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -176.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.5 t80 -87.12 76.71 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -152.25 72.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 174.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.28 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -168.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.03 158.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.19 -70.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 177.13 -132.3 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.3 24.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.36 -155.29 43.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.0 -153.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 178.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' ASN . 25.6 t -37.26 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 175.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.52 -42.65 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.443 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -173.05 143.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.356 176.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -123.69 166.85 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.82 166.86 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.73 153.32 50.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -51.43 170.5 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 157.62 42.55 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 163.19 -130.4 2.23 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.912 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.86 -17.05 60.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.403 1.064 . . . . 0.0 110.988 -169.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 4.3 tp -82.4 -32.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.261 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.2 m-20 -90.03 160.21 16.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.13 -36.27 3.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.63 158.54 29.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 0.813 . . . . 0.0 109.267 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.55 121.49 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -104.15 123.11 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.573 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.562 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 28.3 m-85 -98.66 171.28 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 174.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -97.89 132.48 43.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -18.93 17.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.39 51.84 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -172.08 147.15 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.513 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 48.7 tp60 -71.54 153.62 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 110.219 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.513 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 89.0 m95 -136.26 157.06 47.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 108.066 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.565 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -135.61 171.25 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -113.1 19.23 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.85 177.73 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 16.8 p -76.83 66.55 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 110.433 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.1 p -127.54 -50.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.565 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -113.19 -134.39 6.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.044 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 94.9 m -85.08 84.58 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 0.728 . . . . 0.0 110.459 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -49.66 108.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.84 -43.69 97.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -60.7 -40.17 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.32 87.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.59 -33.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.15 74.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -48.07 -58.89 3.86 Favored 'General case' 0 N--CA 1.515 2.794 0 O-C-N 121.208 -0.932 . . . . 0.0 110.877 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.562 ' OE1' ' CZ ' ' A' ' 180' ' ' PHE . 3.1 mt-10 -51.44 -60.87 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.41 -39.56 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.68 -46.04 47.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -64.06 -43.94 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.659 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 69.2 m -57.11 -41.12 78.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.47 -58.82 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.09 52.69 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.93 142.63 18.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 172.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -119.09 -177.05 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -172.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -41.74 137.73 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.628 -173.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 213' ' ' ALA . 96.0 p -90.01 -105.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 212' ' ' SER . . . -174.92 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.83 147.73 37.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 14.2 t -88.59 -20.61 24.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.438 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.37 -18.02 59.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.26 171.76 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.95 -36.15 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.89 -18.61 63.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 13.1 t80 -44.07 144.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.03 -39.77 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.28 131.02 41.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -48.19 152.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -149.09 160.33 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.539 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 31.6 t -158.98 179.73 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 12.9 tp -153.1 147.61 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.3 t -56.73 -28.03 60.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -141.47 108.18 5.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -86.35 -17.08 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -171.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 4.9 p -64.16 -6.02 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -117.81 -5.89 11.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.515 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -44.64 144.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -177.715 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.468 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 1.9 ttt85 -151.43 157.17 42.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.52 136.85 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 46.6 t -77.71 166.62 22.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -34.02 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -55.48 -41.07 72.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -75.29 -43.08 53.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.45 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.4 mp -65.79 -33.92 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 -177.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -47.44 -47.56 26.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.3 -55.97 3.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -173.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.45 HG21 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -51.13 -47.45 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.279 -175.574 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.49 60.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.4 t -70.92 -32.82 69.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.013 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.26 -16.91 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -148.59 -90.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.41 120.03 4.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.77 26.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.47 7.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.758 . . . . 0.0 111.035 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.62 161.3 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.371 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 36.3 t -65.57 142.4 98.28 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.092 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.51 12.65 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.514 1.797 . . . . 0.0 110.97 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -67.52 -24.42 65.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.361 178.139 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 p90 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.527 0.203 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -171.56 175.32 4.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.332 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.1 p -130.52 135.57 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.55 171.65 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 170.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 3.61 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.11 8.62 8.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp 54.17 95.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 129.02 11.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.052 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 176.11 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -62.82 146.99 51.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 108.011 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -81.71 -3.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.57 157.86 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 p -89.92 -30.09 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -77.66 87.7 3.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.61 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.6 mt -86.11 152.59 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.04 150.4 48.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -144.65 173.59 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -161.42 152.46 18.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.68 116.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 172.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.27 -41.08 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -157.45 172.83 17.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -128.95 -176.81 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -106.72 143.52 27.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -175.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.96 63.71 5.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -158.13 -48.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.34 158.75 31.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -65.96 -59.6 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.4 -37.03 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.89 90.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.25 -52.05 52.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -33.5 52.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -65.45 -42.91 91.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.87 71.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 13.3 t -71.21 -56.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 177.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -44.6 -33.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' SER . 37.2 mtpt -79.08 -50.09 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.191 . . . . 0.0 109.306 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.96 67.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.1 mt -66.67 -50.45 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.5 t -52.96 -40.23 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.443 ' CE3' HD11 ' A' ' 242' ' ' ILE . 76.8 m95 -85.13 -33.34 22.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.4 -22.71 54.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.08 -19.02 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.3 m -127.79 19.47 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.286 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.45 ' CG2' HG12 ' A' ' 242' ' ' ILE . 33.5 p -145.35 157.64 52.47 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 169.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -8.3 20.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.017 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.81 154.66 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.38 134.72 44.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -107.25 147.5 30.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -172.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -142.54 147.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -99.01 148.82 23.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.236 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.15 121.97 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -60.79 -25.59 66.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 111.05 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.47 163.12 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 122.93 -147.22 16.71 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -128.51 81.14 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 0.808 . . . . 0.0 110.319 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.34 156.61 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.32 -56.12 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mt -98.71 91.87 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.87 87.33 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.88 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -149.75 168.35 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -125.48 154.1 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -163.89 143.06 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.9 157.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 50.74 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -47.1 111.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 55.5 p-80 -111.26 47.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 170.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 71.83 -153.53 50.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -172.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.3 p30 48.64 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 174.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.7 t80 -107.72 1.43 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -174.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.568 ' CD2' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.95 94.99 45.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.0 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.431 1.753 . . . . 0.0 111.001 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 0.4 OUTLIER -141.83 -170.27 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 -179.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 10.5 t70 81.09 115.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.187 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 171.7 178.96 42.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 80.4 2.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.999 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.19 -102.8 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.32 -155.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.254 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 157' ' ' PHE . 49.1 t -39.37 123.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -38.19 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.417 ' CB ' ' CD ' ' A' ' 202' ' ' GLU . . . -170.51 145.87 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.47 168.16 20.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.639 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -153.76 177.86 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.568 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 57.5 m-85 -147.7 152.31 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -47.95 173.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.095 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 162.47 -136.2 4.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.389 1.056 . . . . 0.0 111.023 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -168.87 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.7 56.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -168.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.58 -34.66 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 9.2 m120 -91.39 154.49 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.66 -36.93 3.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 16.1 t0 -72.85 144.71 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -113.31 123.25 49.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -97.52 127.76 43.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.653 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 202' ' ' GLU . 17.1 m-85 -112.78 160.97 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.411 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 15.4 t0 -87.41 135.15 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 173.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.93 -23.67 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -18.13 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 154.19 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.33 156.26 37.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -144.49 153.71 42.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 107.959 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.531 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 25.1 p -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 176.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -97.27 -20.46 17.87 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -141.91 -166.23 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.0 p -76.13 74.69 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.1 p -131.85 -47.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.531 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -123.11 -131.57 3.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 111.03 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 194' ' ' ASN . 99.5 m -82.61 79.33 9.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 56.3 t-20 -41.18 111.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.17 -56.8 16.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.3 t80 -47.91 -50.02 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -175.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -38.22 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.01 -38.83 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -50.24 -50.86 48.66 Favored 'General case' 0 N--CA 1.515 2.788 0 O-C-N 121.183 -0.948 . . . . 0.0 110.839 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 180' ' ' PHE . 1.8 mp0 -52.33 -63.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 mp -49.52 -41.71 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.31 -46.97 43.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 80.1 m-70 -64.28 -36.65 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.549 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.9 m -67.94 -34.48 76.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.08 -87.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -174.55 42.16 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.03 139.04 17.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 171.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.424 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 6.6 m-85 -116.05 -67.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -169.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -138.94 137.69 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.566 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 t -101.82 166.28 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.66 -20.18 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -78.6 147.87 33.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.1 t -105.06 -1.13 26.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.397 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.85 -5.0 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -85.21 151.84 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.405 ' CD2' ' C ' ' A' ' 218' ' ' LEU . 0.0 OUTLIER -75.99 -14.04 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 7.4 tpt -82.42 -7.07 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.548 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 35.2 t80 -74.85 144.09 79.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.96 59.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.8 tp -167.63 135.44 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.2 145.51 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.34 123.88 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.675 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 49.9 m -111.31 169.51 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.081 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 18.9 tp -142.14 151.96 42.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.3 t -49.42 -36.58 22.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.47 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -138.59 106.29 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.23 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.75 -23.67 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -176.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -19.72 65.56 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 5.2 t80 -44.91 154.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -157.57 157.12 33.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 25.2 mt -77.63 145.97 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 92.5 p -70.38 163.9 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.45 -26.61 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -42.14 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.53 -46.23 86.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -48.58 -44.88 37.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.18 -61.89 2.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.45 HG12 ' CG2' ' A' ' 128' ' ' THR . 1.0 OUTLIER -53.59 -46.42 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.36 -174.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -25.51 62.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -175.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 t -73.38 -35.7 65.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.22 -23.11 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.72 -88.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 92.82 118.7 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 166.35 29.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.88 32.47 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.787 . . . . 0.0 110.954 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.43 7.26 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.49 161.33 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.3 OUTLIER -58.63 -54.13 59.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -176.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.5 Cg_endo -74.96 73.56 4.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.53 137.22 57.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.046 -1.454 . . . . 0.0 110.365 -179.18 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.813 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.432 0.158 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -57.68 169.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.257 -177.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -123.45 173.91 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.356 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -88.9 170.4 11.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 176.647 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.92 124.56 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 111.043 -176.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.05 -2.16 78.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -174.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt 46.57 73.89 0.91 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.327 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.6 13.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 173.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -166.14 146.56 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -176.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -53.46 148.21 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -96.5 -3.94 42.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -174.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -121.7 154.15 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 p -91.36 -32.38 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 178.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -74.97 76.7 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.609 178.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.23 154.14 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -176.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.27 146.73 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 176.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -141.45 168.16 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -165.39 140.87 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 110.33 -174.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -93.48 121.2 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 177.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.9 t -81.36 -40.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -159.6 170.32 21.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -124.19 -176.22 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -177.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.83 142.08 25.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.371 -177.5 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.6 Cg_endo -74.97 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 178.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -160.45 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -178.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -103.07 159.43 29.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.73 30.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.941 170.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -51.9 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -171.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.32 -36.43 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -178.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.44 87.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -176.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.7 -52.64 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -178.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -33.15 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -64.15 -43.88 93.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.72 76.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.35 -53.08 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -34.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 172.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 6.0 mtpm? -80.84 -55.86 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -177.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.22 -40.71 64.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -177.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.57 -51.06 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -34.37 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -175.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -36.66 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.569 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.443 ' CD1' HG23 ' A' ' 203' ' ' ILE . 88.5 m95 -85.73 -33.81 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.21 -24.35 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 177.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.44 -19.11 59.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.32 16.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -172.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.3 p -144.82 159.72 49.45 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 171.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -8.79 20.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 173.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 246' ' ' TYR . 79.9 mt -59.59 155.47 15.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -170.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -137.72 134.85 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 173.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -112.02 136.84 50.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -172.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.4 m -127.22 147.15 50.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 178.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -90.89 149.44 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -130.71 128.75 41.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 177.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -88.95 -5.99 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -155.7 177.2 11.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 177.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.68 -155.54 43.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.01 105.58 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.66 156.03 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.38 -37.08 85.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 -177.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 mt -116.31 84.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.38 85.57 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.12 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -173.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -142.42 162.93 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -174.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.4 m-85 -122.4 146.7 47.11 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 110.919 177.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -159.98 -179.81 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 150' ' ' GLU . 14.5 m -136.42 161.78 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -178.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.1 OUTLIER 29.3 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 176.161 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 148' ' ' VAL . 10.4 tp10 -96.59 135.59 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 -175.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.738 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 22.9 p-80 -158.69 35.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 173.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 87.03 -166.02 36.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CE2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER 44.17 -159.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.362 176.842 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -124.96 77.01 1.58 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.738 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -159.7 76.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 176.904 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 95.26 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -168.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.76 157.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 171.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.68 -60.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -176.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 149.5 -121.39 1.28 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -177.335 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 110.14 3.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.13 -153.67 21.2 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -175.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.18 -153.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 178.753 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 162' ' ' ASN . 73.0 t -35.23 108.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.372 177.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.3 mt -79.68 -41.0 27.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 174.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.4 142.71 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 178.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.8 p-80 -130.65 167.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -154.08 158.61 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.76 164.09 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -83.1 154.36 67.05 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 168.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 109.98 3.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -171.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -143.05 -93.93 0.19 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 179.73 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -78.38 -12.29 84.44 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 -173.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . 0.467 HD12 ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -85.06 -24.55 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.611 0.83 . . . . 0.0 109.307 178.665 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 12.1 m-20 -86.32 173.81 9.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.88 -41.03 2.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.6 t0 -65.22 143.13 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -108.45 123.12 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -104.26 121.0 42.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -173.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.512 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 31.8 m-85 -102.27 161.44 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 176.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -89.07 120.72 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 176.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.62 -18.06 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 177.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -91.62 50.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -175.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.74 167.07 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 173.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -78.41 156.21 29.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 -175.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -140.14 158.58 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.99 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.602 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 18.1 p -145.43 171.67 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -120.62 26.39 9.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -177.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.04 176.28 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 25.0 p -76.46 81.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.4 t -157.03 -42.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -101.78 -141.9 12.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 174.004 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.524 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.4 m -90.75 72.57 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.384 166.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.524 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.3 t30 -34.17 110.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -172.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.8 tp -52.88 -52.1 58.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -171.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 119' ' ' LYS . 1.7 t80 -47.63 -51.49 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.994 -175.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.407 ' CD2' ' H48' ' A' ' 256' ' ' INH . 0.8 OUTLIER -48.01 -37.09 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 -179.652 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . 0.413 HG21 ' C12' ' A' ' 256' ' ' INH . 24.0 t -78.7 -42.93 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.087 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -50.38 -45.45 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.98 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -44.61 -54.27 6.3 Favored 'General case' 0 N--CA 1.513 2.718 0 O-C-N 121.171 -0.956 . . . . 0.0 110.892 171.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 1.4 mm-40 -51.29 -64.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.382 1.051 . . . . 0.0 110.325 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -47.63 -43.23 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -177.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.08 25.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.96 -42.61 99.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.9 m -60.21 -36.01 76.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.61 -75.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.87 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 177.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 8.3 mt -115.97 162.44 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.25 177.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 48.3 m-85 -151.6 169.76 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.4 ' CE1' ' H38' ' A' ' 256' ' ' INH . 15.1 m170 -45.59 124.64 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.618 -166.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 35.5 m -80.51 174.61 11.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.74 -35.01 16.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 177.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.82 148.21 51.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 74.1 p -97.35 -27.83 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.75 159.96 32.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -24.3 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.6 tpt -60.58 -27.09 67.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 110.919 176.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.538 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.2 t80 -52.74 147.55 15.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -172.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 134.78 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 -176.131 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.26 151.13 41.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 -177.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.67 146.9 11.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 22.4 t -114.88 -174.8 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -177.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -149.04 157.18 43.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 26.3 m -52.26 -37.68 56.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.13 127.7 19.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -97.98 -20.15 17.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -171.501 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -19.56 59.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.378 -177.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.99 -4.95 22.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 175.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 1.2 t80 -38.82 152.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.982 -178.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -156.21 157.58 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.69 147.32 35.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 15.8 m -74.56 159.86 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.74 -31.8 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -38.73 65.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 178.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -79.47 -46.82 16.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -174.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.92 -38.33 79.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -177.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -52.66 -45.0 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.5 -51.5 6.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -176.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.437 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.2 tp -58.67 -30.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -174.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -34.01 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 23.0 t -60.42 -26.21 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.08 . . . . 0.0 110.002 176.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.83 -34.46 33.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.42 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 5.0 m-85 -143.35 -84.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -177.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.27 120.67 3.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.47 26.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.14 31.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 178.28 7.47 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.765 . . . . 0.0 110.922 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.09 144.45 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.498 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.4 OUTLIER 170.95 -55.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -178.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.4 Cg_endo -74.95 72.26 4.68 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.02 134.65 46.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.013 -1.47 . . . . 0.0 110.426 -179.51 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.413 ' C12' HG21 ' A' ' 198' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.426 0.155 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -173.06 173.88 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -116.02 136.04 53.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.425 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -64.56 173.38 1.6 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 111.007 172.444 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.08 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.997 178.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.06 -10.93 4.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -173.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.8 mt 65.72 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.91 11.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt 172.96 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -65.24 151.89 45.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -87.49 -4.04 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -173.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 8.6 pttm -127.26 152.72 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.631 1.207 . . . . 0.0 109.372 179.008 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -89.44 -39.35 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.382 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -74.49 79.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.22 159.01 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.361 -176.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 150.89 49.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 173.467 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -144.51 169.38 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 178.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 144' ' ' ILE . 6.8 ttt85 -165.85 143.67 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -177.475 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -102.47 117.0 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 175.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -75.69 -41.03 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -152.43 171.52 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -177.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.94 -170.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -177.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -114.6 143.96 30.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -178.129 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 64.24 6.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.31 -48.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.26 160.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 170.76 19.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 172.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.48 -59.92 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -173.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -50.77 -35.04 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -178.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.54 90.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -175.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.39 -51.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.326 -177.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.49 -33.03 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -63.59 -45.25 91.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.992 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.62 -39.03 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.25 -53.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -44.86 -34.21 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.5 mttp -81.8 -56.34 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -176.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.98 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -176.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.56 -52.9 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.5 73.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -173.647 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -33.43 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -178.632 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.414 ' CH2' HD13 ' A' ' 209' ' ' LEU . 90.3 m95 -93.2 -32.43 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -176.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.3 -23.83 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 177.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -18.83 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -175.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.06 18.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -173.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.5 p -144.91 159.86 48.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.42 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.57 21.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 175.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.402 HD23 ' CE1' ' A' ' 246' ' ' TYR . 53.8 mt -57.74 154.35 11.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -172.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 134.38 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 110.443 173.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -109.11 131.45 55.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -172.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.4 t -119.63 161.17 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 177.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -112.42 150.83 30.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.1 mt -128.27 125.9 39.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -77.73 -11.94 59.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 111.021 -177.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.44 171.03 20.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 176.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.16 -146.04 20.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.148 . . . . 0.0 110.968 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.55 148.95 42.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 110.232 -178.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -128.74 155.68 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.21 -39.66 93.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -175.54 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.49 87.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.1 mmt -90.59 83.63 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' ARG . 2.7 mp -70.23 145.21 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -174.379 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 m -155.39 159.06 39.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.33 139.69 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 174.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -148.47 162.08 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -175.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.54 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -130.56 -175.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 165.169 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 148' ' ' VAL . 35.1 ptt85 36.8 -157.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.186 . . . . 0.0 110.299 177.106 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.5 tm-20 -62.15 110.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 174.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 24.5 p-80 -117.99 7.74 12.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.073 . . . . 0.0 109.53 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.92 -94.64 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 t0 -73.69 179.25 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 177.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.6 t80 -83.63 80.52 9.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -176.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.608 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.92 64.71 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 178.396 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.72 23.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 -170.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.54 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 9.1 m-30 -93.45 134.48 35.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 173.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -155.41 -65.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -176.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -54.2 148.44 19.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 136.79 20.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 176.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.93 -132.61 13.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 47.9 -148.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 177.376 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 162' ' ' ASN . 8.8 t -32.34 113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 176.332 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.32 -33.55 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.427 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . 179.56 141.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.18 170.33 10.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.056 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.61 164.49 38.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -122.78 152.43 40.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.429 ' CB ' ' CD ' ' A' ' 170' ' ' PRO . . . -61.55 177.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 170.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -74.99 151.02 39.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.417 1.746 . . . . 0.0 111.001 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 171.81 -133.96 2.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -178.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.16 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.96 60.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -170.339 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -26.23 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.37 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.1 m-80 -90.39 169.77 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.71 -38.14 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 176.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -73.6 149.15 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.321 -177.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -115.6 113.05 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.8 120.68 35.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -178.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.468 ' CD1' ' OE1' ' A' ' 202' ' ' GLU . 30.6 m-85 -88.98 153.67 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.077 172.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.7 t0 -84.4 107.03 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -24.22 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -80.19 50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 177.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 151.07 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 22.9 tt0 -73.82 156.95 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 177.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.405 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 91.7 m95 -141.28 155.05 46.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.556 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 37.3 p -140.19 168.45 19.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -93.39 -23.43 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.21 -177.8 4.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -175.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 p -70.92 76.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -178.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.1 p -134.59 -48.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.457 177.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.556 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -117.58 -130.64 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.947 176.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 54.7 m -86.4 87.35 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 0.723 . . . . 0.0 110.402 171.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 197' ' ' LEU . 14.2 t-20 -46.09 115.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -178.469 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 68.3 tp -67.49 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.22 -175.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -42.49 -51.41 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 -177.588 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 194' ' ' ASN . 1.8 tm? -54.65 -38.14 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -177.102 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.23 -33.77 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.297 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.01 -39.4 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -177.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.69 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -54.42 -54.36 41.83 Favored 'General case' 0 N--CA 1.514 2.768 0 O-C-N 121.101 -0.999 . . . . 0.0 110.818 177.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 180' ' ' PHE . 2.4 mt-10 -50.5 -62.34 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 177.315 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.05 -38.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -177.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.69 26.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.72 -39.27 73.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.6 t -58.61 -39.25 79.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.992 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.65 -70.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -177.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 161.4 49.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.414 HD13 ' CH2' ' A' ' 124' ' ' TRP . 10.8 mt -124.14 151.86 43.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 174.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 86' ' ' PHE . 85.3 m-85 -140.51 167.36 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 171.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 210' ' ' PHE . 35.1 m170 -41.91 139.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.634 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 11.1 m -103.48 167.39 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -78.25 -39.4 40.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.06 147.27 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.374 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.6 p -101.52 -11.37 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.11 -23.65 47.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 176.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.04 168.78 17.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -175.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.69 -20.56 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 177.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.38 67.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 22.4 t80 -43.06 145.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 175.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 -35.67 3.05 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -165.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.21 136.32 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 178.671 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -46.21 146.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.03 124.15 45.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -177.308 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 85.5 p -132.28 163.49 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.048 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.4 tp -155.18 149.62 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -50.37 -32.79 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -133.93 93.4 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 177.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -66.47 -21.79 66.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -178.54 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.3 t -66.86 -11.08 54.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -112.63 -5.69 13.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -176.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -47.28 146.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.46 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.4 mmt180 -148.28 148.26 30.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 178.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.02 133.08 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 174.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 65.5 m -73.23 164.71 26.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 177.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.38 -34.84 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -177.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.45 -47.88 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.295 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.88 -50.45 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -177.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.24 -37.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 -174.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.26 -44.41 61.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.43 6.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 110.964 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.41 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.0 OUTLIER -60.94 -26.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 -174.577 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.35 -39.43 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.9 m -54.8 -29.93 55.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.41 -33.9 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 178.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.402 ' CE1' HD23 ' A' ' 130' ' ' LEU . 40.1 m-85 -133.03 -91.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 111.001 -178.249 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.7 118.61 3.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.87 28.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 178.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.11 32.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.28 7.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -153.06 164.94 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 28.7 m -157.2 77.54 3.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 69.59 5.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -149.29 29.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.018 -1.468 . . . . 0.0 110.389 -179.317 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.5 p90 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.456 0.169 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -179.44 178.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -118.36 135.76 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.392 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.628 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -84.2 176.74 3.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 170.854 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.628 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.94 98.73 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 -173.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.73 -11.81 5.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -170.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt 65.13 110.26 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' HD21 ' A' ' 245' ' ' LEU . 18.1 Cg_endo -75.04 125.1 9.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.051 -177.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 245' ' ' LEU . 0.7 OUTLIER 171.48 123.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -177.051 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.425 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 97.9 m95 -73.97 156.26 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 177.346 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -87.25 -3.25 59.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -176.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -130.81 155.94 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -90.9 -35.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -76.92 82.23 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 92' ' ' TRP . 14.0 mt -77.6 166.31 23.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -176.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.76 144.61 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 175.61 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -138.69 171.29 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 175.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -160.82 131.82 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 110.279 -175.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -94.28 114.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 176.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.57 -41.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -174.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -159.79 172.82 16.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.387 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -120.11 -165.49 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.086 -176.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -118.03 143.2 32.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -177.843 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.99 68.91 5.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 178.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.38 -48.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.614 1.196 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.11 160.31 26.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 178.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.03 32.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 171.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -58.76 6.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -170.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 -35.17 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -176.167 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.89 87.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -176.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.27 -53.94 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -178.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -51.94 -34.78 43.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -59.2 -40.42 85.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -177.682 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.95 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 2.3 t -75.05 -54.87 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 177.426 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -47.13 -29.2 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 174.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 115' ' ' SER . 41.3 mtpt -84.3 -53.7 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -176.557 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.46 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 178.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 84.4 mt -64.0 -49.96 70.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -177.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -59.65 -37.21 78.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.35 -39.92 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.459 ' CE3' HD12 ' A' ' 242' ' ' ILE . 88.5 m95 -84.21 -31.84 24.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.025 -177.535 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.76 -22.7 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 178.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.2 -19.28 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -175.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.86 18.6 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -173.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 242' ' ' ILE . 61.4 p -144.89 160.43 46.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 169.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -9.03 20.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.35 154.9 40.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -169.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.1 p -129.09 167.97 16.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 169.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.62 134.56 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.5 t -124.24 179.99 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -128.76 152.46 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.7 mt -122.33 123.0 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -60.35 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -152.31 166.68 31.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 89.8 -159.39 27.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.03 142.32 35.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.248 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -115.12 163.03 16.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 176.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -33.9 76.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -177.143 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.4 mt -123.46 88.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.38 101.75 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.081 -179.545 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.45 142.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -175.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -150.61 169.93 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 20.7 m-85 -128.86 139.95 51.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 176.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 143.88 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.98 178.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 171.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 41.93 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 174.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.86 138.24 50.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 177.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.0 p-80 -146.23 28.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -167.518 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 136.96 -89.18 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.063 179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.12 -164.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -178.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.44 74.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.49 70.4 5.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 178.744 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 105.07 2.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 -171.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 181' ' ' ASP . 3.6 m-85 -48.27 130.75 16.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 173.353 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.73 65.03 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -171.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 53.4 -142.73 28.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 0.0 110.989 176.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.44 28.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.42 -160.41 39.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -175.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.08 -152.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 109.251 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 162' ' ' ASN . 65.4 t -35.14 115.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 178.135 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.41 -39.34 12.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 173.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.85 142.22 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 173.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.79 162.56 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.591 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -156.88 145.71 20.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -174.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -99.08 170.65 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.85 167.54 9.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 175.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 146.75 32.91 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 -177.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.65 -175.56 27.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.57 42.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.041 178.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 75.93 -135.93 18.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 173.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -24.53 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 -177.619 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -68.84 139.03 55.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.96 -28.19 9.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.57 155.56 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -176.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -139.79 124.26 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 178.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -112.16 139.48 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.572 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.521 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 20.9 m-85 -106.6 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 174.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.428 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -91.41 114.09 26.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 173.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.5 -23.86 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.31 -26.8 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -175.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.52 152.73 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -175.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -75.95 156.11 34.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -140.23 154.73 46.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 108.007 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.507 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 71.1 p -142.31 170.63 15.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.469 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.55 10.47 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -174.103 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -166.46 -170.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 37.9 p -77.88 70.45 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 110.383 -175.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 16.1 p -131.46 -49.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.464 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.507 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -102.71 -134.0 8.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 177.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 194' ' ' ASN . 42.6 m -94.91 75.44 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.414 169.075 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 193' ' ' THR . 58.9 t30 -34.98 112.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -173.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -55.38 -52.91 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -169.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.9 -45.16 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -174.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -39.28 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.207 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -79.79 -32.96 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -66.37 -42.44 88.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -176.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -67.99 -22.44 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.38 -179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.34 -57.89 3.6 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 121.185 -0.947 . . . . 0.0 110.78 174.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -54.17 -51.34 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.2 OUTLIER -54.46 -38.93 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -177.526 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 203' ' ' ILE . . . -53.64 -39.34 60.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 -178.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -66.71 -37.72 85.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.584 178.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -70.79 -34.95 72.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -178.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.81 -53.55 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -176.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.94 56.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.562 1.164 . . . . 0.0 111.053 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 209' ' ' LEU . 1.3 pt? -164.81 132.42 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.726 . . . . 0.0 109.301 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 211' ' ' HIS . 33.0 m-85 -109.48 -173.86 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 111.016 -177.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 210' ' ' PHE . 46.9 m170 -35.66 131.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.61 -175.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 61.7 p -86.25 177.14 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 -179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.46 -30.39 23.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.1 150.83 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -178.399 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.2 t -97.82 -19.52 18.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -178.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -11.25 59.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.82 171.79 14.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.405 HD11 ' CZ ' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -94.96 -24.5 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -176.084 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.66 -15.26 62.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 177.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.556 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 62.6 t80 -64.07 137.63 97.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 175.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.03 65.43 6.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.9 132.16 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 177.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -74.08 149.24 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -172.0 123.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.548 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 68.0 m -97.49 170.38 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -177.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 33.1 tp -130.94 152.86 49.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.1 p -39.66 -56.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -120.2 100.54 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -176.003 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -22.43 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.178 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -96.27 -4.93 41.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 3.9 t80 -42.46 155.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -156.15 156.2 33.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 6.1 mt -79.96 148.48 31.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.3 m -76.19 156.31 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 177.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.18 -31.06 51.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -39.37 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -76.88 -44.07 33.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.213 -174.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.414 ' HA ' ' CG2' ' A' ' 242' ' ' ILE . 2.3 mp -62.88 -35.77 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -178.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -52.24 -49.9 63.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -74.84 -51.46 7.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -175.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.459 HD12 ' CE3' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -56.97 -24.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -175.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.3 -36.89 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 110.298 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 91.1 p -56.07 -32.91 64.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . 0.463 HD21 ' O ' ' A' ' 90' ' ' PRO . 4.6 mt -87.43 -21.13 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -178.091 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.425 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 32.5 m-85 -141.06 -90.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.13 122.64 2.7 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 176.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.55 28.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.831 . . . . 0.0 111.04 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 123.79 8.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.37 7.36 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 178.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.54 166.97 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 109.288 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.512 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER -51.67 -55.96 25.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.079 -173.856 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.3 Cg_endo -74.99 64.02 6.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 177.076 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.39 -27.13 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 116.952 -1.499 . . . . 0.0 110.381 178.696 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.474 0.178 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -70.31 166.73 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -177.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -142.15 137.59 31.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -177.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.45 170.18 0.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 173.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.19 4.36 18.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 111.032 177.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mp 53.84 96.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.769 . . . . 0.0 109.284 -177.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -178.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 pttm 178.52 121.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -176.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -66.47 149.6 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -94.46 -2.27 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -176.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -121.45 136.63 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -83.0 -35.78 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -74.39 77.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 178.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.22 149.17 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -177.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.96 151.13 47.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 173.262 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.57 170.97 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -166.19 141.74 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -177.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -100.34 113.67 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 174.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.53 -40.97 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -173.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -154.2 173.27 16.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -177.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.18 -167.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -117.85 144.01 33.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -177.786 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.98 73.4 4.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.264 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.54 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.21 159.62 28.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.68 26.52 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 172.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -67.89 -55.88 11.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.08 -35.68 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -177.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.96 90.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -176.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -52.67 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -177.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.78 -33.69 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -66.39 -42.63 87.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 -179.207 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.19 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 10.9 t -71.28 -58.29 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 176.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -43.67 -34.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 176.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 27.2 mttp -83.79 -45.12 13.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -175.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.97 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 28.7 mt -71.26 -53.57 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -178.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.21 -31.35 70.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -176.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.3 t -56.29 -37.05 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -178.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -87.62 -33.29 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -54.63 -23.79 18.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.33 -19.9 49.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -175.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.95 17.7 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -173.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 63.6 p -144.49 159.16 52.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 110.36 171.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.69 21.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 175.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.01 152.19 24.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -171.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 134.74 47.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 173.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -107.88 131.3 54.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -173.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.9 t -124.83 163.41 22.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 1.076 . . . . 0.0 109.955 176.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -118.39 150.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.99 133.98 53.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -72.35 -15.7 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -159.49 169.52 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 175.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.44 176.34 41.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 178.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -93.6 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.271 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.55 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 177.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.04 -49.93 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.63 89.86 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.91 90.75 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -178.403 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 144.21 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -177.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -156.21 160.41 39.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -178.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -111.03 140.52 45.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.25 168.17 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.55 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 6.1 m -139.61 -175.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 174.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 148' ' ' VAL . 7.4 mtp-105 33.61 -142.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 177.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.38 99.8 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 176.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.451 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 38.4 p-80 -100.13 54.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 178.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 58.92 63.45 5.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -177.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.619 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.6 p-10 -174.71 -174.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -172.292 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.6 t80 -113.74 2.5 15.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -175.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -113.49 92.82 24.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.035 176.119 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.52 30.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -175.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.55 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.7 m-30 -105.04 129.8 53.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 178.46 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 178.78 112.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.368 -177.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 144.01 145.43 4.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.157 . . . . 0.0 111.073 174.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 129.44 12.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 175.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.96 -135.49 19.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -174.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.12 -153.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 178.304 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 4.4 t -36.41 116.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 176.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.36 146.21 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -126.95 165.94 18.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.555 178.145 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -159.74 161.59 34.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 174.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.483 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 59.6 m-85 -133.75 140.15 46.8 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 111.069 -171.207 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -53.37 150.01 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 175.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 137.85 22.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -171.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -168.01 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 172.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -77.21 -11.42 85.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -173.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -26.95 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.152 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 18.3 m-20 -88.36 176.62 7.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.51 -39.16 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.41 150.46 36.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 176.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -116.75 112.03 20.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -89.46 123.19 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.67 145.62 27.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 173.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 19.4 t0 -78.92 109.2 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -174.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -23.08 53.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 177.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.5 49.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 176.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.13 153.96 16.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.321 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 23.5 tt0 -73.38 158.09 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 177.021 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.422 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 93.1 m95 -143.56 156.51 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.598 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 69.5 p -139.45 163.72 31.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 178.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -92.88 -11.21 34.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 177.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.51 -169.92 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 23.9 p -78.15 70.98 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -176.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 9.3 t -143.45 21.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 175.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.598 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 176.91 -133.47 2.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 42.4 m -88.84 87.73 7.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 110.422 170.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -52.15 110.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.374 -176.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.64 -57.4 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -174.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -52.49 -41.57 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -174.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -37.79 79.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 178.48 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.18 -34.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.31 82.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -178.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.65 89.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -66.64 -53.76 30.64 Favored 'General case' 0 N--CA 1.516 2.831 0 O-C-N 121.164 -0.96 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -57.47 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -54.28 -35.87 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.38 -176.01 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.67 43.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.062 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 74.1 m-70 -66.84 -38.53 86.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.546 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.0 t -65.0 -28.86 69.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.19 -105.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -175.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -143.27 12.04 2.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.078 -174.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.96 172.26 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.57 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.0 m-85 -151.34 -63.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.929 178.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.7 m170 -149.04 137.55 21.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.396 1.06 . . . . 0.0 109.682 -176.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -94.02 177.48 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -99.75 -39.85 8.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.243 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.07 157.45 36.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 215' ' ' THR . . . . . 0.41 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 70.4 p -94.88 -29.72 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -178.02 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -8.22 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 110.262 -176.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.65 -178.91 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -178.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.1 -48.65 6.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -174.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 94.3 mmm -67.86 -9.04 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -173.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.8 t80 -44.46 129.46 4.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 174.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 57.17 4.45 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 -176.606 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 149.29 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 174.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -75.74 145.74 40.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -169.62 122.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.688 177.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 5.1 m -110.23 134.67 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -177.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.7 tp -81.64 150.05 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.01 -44.38 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 110.406 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.74 104.26 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 175.459 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -63.53 -18.32 63.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -176.228 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -9.83 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -178.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -114.84 -5.69 12.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -176.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -49.77 141.93 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -177.734 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 4.1 mtt-85 -152.63 148.93 27.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 178.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.9 132.42 46.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 176.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 67.9 m -73.54 158.53 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 177.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -29.51 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 -178.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -50.96 -50.75 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 176.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.91 -48.58 62.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -173.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.51 -43.4 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.644 1.215 . . . . 0.0 109.334 -174.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -49.2 -43.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.42 -57.15 4.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.73 -29.42 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 109.253 -173.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -77.87 -39.75 42.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 p -60.68 -30.19 69.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.15 -19.1 25.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -139.78 -92.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.32 112.85 2.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 172.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.91 32.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.914 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.14 8.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -69.77 144.71 52.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 53.6 p 47.45 68.74 3.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 -179.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 72.47 4.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.521 1.8 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.84 136.63 32.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.033 -1.461 . . . . 0.0 110.382 -179.306 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.537 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CE2' HD23 ' A' ' 209' ' ' LEU . 12.0 t80 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' O ' ' CG2' ' A' ' 85' ' ' THR . 8.3 mtp180 -75.25 141.94 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 176.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' A' ' 84' ' ' ARG . 28.1 p -159.22 135.32 8.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.381 -169.403 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.07 169.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.904 176.739 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.574 1.829 . . . . 0.0 111.015 178.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.77 -7.8 6.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -174.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.3 mt 67.28 106.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 178.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.72 13.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? 175.55 125.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -64.65 151.02 45.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.95 -4.86 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -176.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -126.29 157.71 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.7 p -92.98 -38.2 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -75.32 88.16 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.554 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.195 . . . . 0.0 109.321 -177.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.9 148.1 51.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 174.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -137.57 174.34 10.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 176.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -163.59 147.76 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -177.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mm -102.97 117.43 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.36 172.103 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.56 -38.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -160.33 169.37 23.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.69 -177.3 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -175.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -109.36 143.96 28.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -175.291 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.42 6.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.28 -48.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.2 mt -104.63 157.31 34.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 168.81 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 173.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -63.82 -63.35 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -173.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -33.62 40.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.558 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.81 90.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -177.234 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.47 -52.81 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -178.28 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.56 -34.83 59.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 109.309 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -46.44 89.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.18 -41.57 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 24.1 t -72.16 -55.44 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 178.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -44.73 -33.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 176.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -85.38 -43.2 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -176.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.35 72.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 40.4 mt -71.54 -52.09 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -178.693 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.25 -34.6 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -178.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.83 -34.27 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.505 ' CZ3' HD11 ' A' ' 242' ' ' ILE . 61.7 m95 -86.74 -36.44 18.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.034 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.01 -24.42 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.87 -18.87 53.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 m -131.67 17.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -172.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.7 p -145.31 158.85 50.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.4 20.74 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 176.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.45 154.24 42.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -168.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -126.6 166.33 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 171.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.53 158.46 43.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.912 -174.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.3 m -154.78 150.0 27.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -98.27 152.67 19.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -178.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.0 mt -131.87 121.03 23.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 177.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -77.49 -10.45 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.416 1.073 . . . . 0.0 111.042 -177.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -151.0 172.49 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 176.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.16 -160.49 53.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 176.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.9 153.96 21.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 -178.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.27 161.45 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 177.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.19 -39.86 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 17.7 mt -119.93 86.43 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.61 87.38 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 136.35 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -175.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 p -143.9 164.93 29.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -172.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 15.0 m-85 -126.67 151.26 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 177.139 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.07 143.14 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 175.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.6 m -93.04 173.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 171.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' VAL . 20.7 mmt-85 39.9 -147.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 175.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.11 143.57 31.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.574 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 42.7 p-80 -158.51 30.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.631 -160.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.74 -91.47 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.571 1.17 . . . . 0.0 111.003 -178.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.516 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -73.46 -164.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.092 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.72 78.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -178.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.574 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.02 75.48 6.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.417 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.83 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -170.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 181' ' ' ASP . 6.4 m-85 -71.9 126.95 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 111.0 175.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -123.72 81.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -167.518 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.49 -161.38 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.42 1.075 . . . . 0.0 111.009 170.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 157.65 42.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 111.079 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.19 -164.08 51.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -174.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.17 -157.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 0.719 . . . . 0.0 109.278 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 49.0 t -42.66 117.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.76 -42.19 12.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 173.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.82 144.81 6.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.41 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 6.3 p-80 -133.9 161.76 33.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 178.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -157.12 175.54 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -175.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.72 165.83 26.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -176.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -52.07 163.72 0.66 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.16 40.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 -177.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 142.16 -177.5 21.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.21 42.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.03 -133.71 13.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 174.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -35.77 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 0.0 109.266 -177.249 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.87 150.34 49.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -175.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.2 -36.79 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -75.79 158.46 32.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 -177.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.22 125.34 29.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 176.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -103.58 123.95 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.622 -174.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 8.1 m-85 -107.47 163.4 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.904 175.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.464 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -84.55 137.48 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.269 175.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.66 -22.67 14.39 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 177.391 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -78.19 -23.23 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -80.76 152.43 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -177.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -74.73 155.58 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 176.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -143.17 153.05 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 108.04 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.529 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 29.1 p -138.71 165.76 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.401 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -16.16 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -176.081 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -139.09 -177.08 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -176.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p -71.85 78.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.4 p -137.52 -51.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.529 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -110.14 -131.08 6.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 178.173 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 194' ' ' ASN . 23.4 m -88.72 79.08 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.736 . . . . 0.0 110.404 169.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 193' ' ' THR . 26.0 t-20 -39.9 111.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.256 -175.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.47 -50.69 72.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -172.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -50.77 -44.55 58.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.935 -175.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.433 ' O ' ' H49' ' A' ' 256' ' ' INH . 1.0 OUTLIER -50.57 -44.44 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.25 176.415 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.84 -35.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -175.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 178.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.96 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.385 -176.359 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -53.27 -48.83 67.96 Favored 'General case' 0 N--CA 1.515 2.803 0 O-C-N 121.189 -0.945 . . . . 0.0 110.874 174.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.4 -53.16 57.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.215 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -52.58 -39.27 53.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.612 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 63.7 m-70 -73.19 -36.58 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.575 178.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 67.9 m -67.08 -25.06 66.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.044 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.5 -102.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -155.81 23.84 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.585 1.178 . . . . 0.0 110.991 -176.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' A' ' 83' ' ' PHE . 89.0 mt -118.34 -179.95 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 174.511 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.612 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -156.51 -60.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 177.221 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.9 m170 -149.54 124.54 10.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.615 -178.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 11.2 m -76.93 -94.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.987 -176.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 173.91 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -176.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . 0.403 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 2.3 t-20 -63.82 149.25 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 178.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.9 p -91.78 -14.38 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -178.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.08 -7.83 50.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.71 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -21.67 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 2.0 mtp -86.75 15.3 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.608 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.7 t80 -82.65 149.32 60.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 171.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.02 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -171.118 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 134.9 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.48 155.37 15.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -174.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.29 178.79 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 109.556 -178.42 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.2 t -165.42 -175.84 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.04 157.53 42.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 11.8 t -57.08 -31.4 65.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -146.45 123.86 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 177.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.476 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -94.75 -19.79 20.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -177.092 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -11.13 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -178.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -119.84 -6.32 10.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 1.3 t80 -43.01 152.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -174.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -156.16 157.23 35.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 173.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.96 138.58 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 -179.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 34.2 m -62.86 156.5 23.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 177.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -54.55 -29.28 50.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -38.92 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.73 -43.92 52.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -174.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.25 -37.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.98 -43.13 60.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.9 5.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -176.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.505 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.7 tp -57.48 -29.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 -174.031 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.03 -34.87 37.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.4 p -57.14 -29.77 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -178.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.09 -18.91 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -141.66 -96.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -176.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.26 117.38 3.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 177.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 168.66 24.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.04 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.6 8.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.428 1.752 . . . . 0.0 110.992 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -74.52 161.74 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 65.2 m -70.1 150.17 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.038 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.37 18.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 178.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.89 -36.13 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.472 179.585 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.771 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.505 0.193 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -142.04 163.07 33.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 86' ' ' PHE . 81.9 p -110.84 -103.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 176.89 168.7 0.43 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.97 105.88 2.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -178.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.82 -8.9 34.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.937 -177.065 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.9 mt 48.38 72.0 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 -179.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.89 17.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 172.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -166.61 134.84 2.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -174.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.33 129.91 40.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 178.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -82.82 -4.24 57.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -174.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -116.04 152.48 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -178.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 p -90.54 -33.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -80.09 87.54 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.7 mt -89.34 161.51 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -176.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 152.07 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 174.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -141.9 172.58 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -164.22 147.45 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -177.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.74 115.78 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 174.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.37 -40.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -175.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -157.25 173.22 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.36 -173.54 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -176.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.27 144.19 29.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.369 -176.39 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 65.78 6.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.977 178.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -160.3 -48.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.99 158.05 32.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.98 28.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 170.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.09 -62.33 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -174.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.45 -36.59 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.5 92.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 -175.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.21 -53.7 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.46 -40.19 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' LYS . 3.0 t -57.46 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 -178.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.19 -36.69 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -178.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.78 -55.17 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 178.139 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.24 -29.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 173.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 41.9 mtpt -85.39 -54.33 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -176.063 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.75 -45.3 74.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.376 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.02 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.14 -41.19 96.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -177.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -33.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -177.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.496 ' CD1' HG23 ' A' ' 203' ' ' ILE . 91.6 m95 -89.53 -36.4 15.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.338 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -55.97 -23.33 31.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.29 -19.17 56.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.92 18.38 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.286 -174.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 69.1 p -144.72 160.04 48.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 171.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.86 20.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 174.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.85 157.1 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -172.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 p -139.24 133.81 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 172.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.86 132.17 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.933 -172.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 m -123.1 150.04 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.053 177.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 153.66 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.6 mt -126.71 111.89 14.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -55.99 -25.38 43.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -178.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -159.21 164.53 34.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 175.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.86 -167.0 22.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.1 146.12 24.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 110.352 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.74 43.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.43 -35.17 79.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -176.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.7 mt -120.25 84.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.76 88.54 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.15 143.2 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -174.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -152.76 159.13 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -176.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -111.36 141.28 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 173.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.87 161.49 42.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -175.235 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.477 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.1 m -131.33 -173.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 167.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 35.5 -154.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 177.803 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 104.31 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 173.599 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.649 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 21.7 p-80 -101.32 57.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.192 . . . . 0.0 109.626 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.53 66.17 2.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -177.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.649 ' OD2' ' CD2' ' A' ' 151' ' ' HIS . 2.8 p30 176.17 -169.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -170.108 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.04 20.58 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -177.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.636 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -125.06 90.42 51.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 166.694 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.2 36.29 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.477 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 6.9 m-30 -96.73 126.81 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 175.837 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.33 -75.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -170.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -165.98 -142.78 3.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -175.125 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.4 36.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.44 -155.29 48.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -172.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.34 -154.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.9 t -38.27 111.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.33 -39.81 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 176.202 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.415 ' HB2' ' OE2' ' A' ' 202' ' ' GLU . . . -173.94 141.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 177.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.456 ' CE1' ' HE1' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -124.62 167.13 14.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.502 179.89 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 205' ' ' HIS . . . -158.15 170.6 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 176.098 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -139.56 141.52 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -175.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.08 154.48 19.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 173.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 157.14 42.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 110.941 -170.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 174.03 -93.41 0.1 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -76.59 -11.05 85.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -173.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.87 -25.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.3 m-20 -88.4 176.97 6.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.13 -39.86 3.1 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 151.8 40.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 178.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -117.83 119.23 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.257 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -99.56 120.56 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -177.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 32.9 m-85 -97.04 146.62 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 174.476 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 10.3 t70 -73.37 104.93 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -178.075 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.54 -26.45 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.46 49.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 178.178 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -167.67 142.35 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -178.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -71.76 154.72 41.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.21 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -135.79 156.19 49.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 107.99 -177.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 15.1 p -141.87 171.94 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 176.165 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -112.29 29.56 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -170.92 -173.27 1.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 34.9 p -86.35 86.44 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.389 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.8 t -155.76 -41.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 177.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -115.72 -134.82 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 173.052 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 28.3 m -84.55 83.31 8.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 110.367 171.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -42.7 103.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.02 -57.81 8.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 -172.169 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -53.82 -36.34 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 111.01 -173.182 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -36.82 85.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 177.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 67.4 t -76.15 -38.13 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.15 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.17 71.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -50.34 -56.31 11.86 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 121.158 -0.964 . . . . 0.0 110.828 174.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.553 ' OE2' ' CD1' ' A' ' 180' ' ' PHE . 1.2 mm-40 -50.04 -63.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.496 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.3 mp -47.69 -44.85 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -177.35 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.07 -46.57 20.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.074 -177.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 167' ' ' ALA . 83.8 m-70 -67.16 -43.99 80.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.583 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 20.5 m -59.56 -34.01 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -177.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 61.6 mt -73.52 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.6 35.8 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.508 ' HB3' ' SD ' ' A' ' 219' ' ' MET . 6.6 mt -116.45 172.27 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 176.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 29.6 m-85 -159.0 175.62 13.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.92 117.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.63 -172.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.9 m -78.82 168.73 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.91 19.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . 0.42 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 0.5 OUTLIER -66.14 145.97 55.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.337 -179.064 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.3 t -98.54 -8.7 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -178.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -87.26 -14.78 40.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.95 172.66 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -177.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.461 HD11 ' CE1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -99.95 -28.15 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 219' ' ' MET . . . . . 0.508 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 4.5 mtp -70.17 -16.44 63.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 110.982 -178.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 22.3 t80 -45.57 145.22 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.91 172.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.01 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 -167.131 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.56 144.47 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.51 161.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -144.19 156.7 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.14 165.83 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 178.044 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 20.6 tp -147.44 153.22 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 22.8 m -45.67 -38.11 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 178.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -134.59 113.29 11.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 177.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -67.33 -22.8 65.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 -175.434 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -15.85 63.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -178.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -105.12 -5.23 20.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -174.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 233' ' ' ARG . 0.0 OUTLIER -54.01 145.16 17.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 7.4 tpp180 -153.77 158.02 40.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 175.079 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.0 156.85 38.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.5 t -90.61 167.32 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 175.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -59.91 -30.95 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -176.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.45 -39.85 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -75.49 -47.59 26.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -174.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.31 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.51 -44.44 69.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.86 -49.25 7.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -176.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.462 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 0.6 OUTLIER -60.58 -27.24 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -175.441 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.21 -40.65 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 40.8 t -55.73 -30.39 61.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.012 178.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.63 -28.61 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 109.361 178.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -139.54 -89.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -177.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.06 115.86 3.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 176.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.98 28.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 164.9 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.24 144.28 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -66.53 -53.1 31.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.087 -178.724 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.7 Cg_endo -74.88 175.55 11.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.37 179.847 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.559 0.219 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -143.67 166.53 24.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -134.43 135.34 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.94 173.677 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.91 102.39 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -173.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.05 -10.8 6.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -170.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp 62.95 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.424 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.2 Cg_endo -75.04 126.71 10.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -178.04 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 50.0 pttt 172.17 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -177.233 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.428 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 86.7 m95 -71.1 161.2 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -92.83 -3.63 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -175.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -131.96 155.63 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -90.46 -38.93 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 -179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.28 85.89 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.14 162.0 18.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -176.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.36 154.14 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.445 175.434 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -143.94 173.32 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 175.069 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -161.86 145.89 12.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -176.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -103.27 113.53 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 174.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.07 -41.85 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -174.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -160.16 176.07 12.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.23 -172.97 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -175.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.27 142.85 26.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 -176.793 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 64.42 6.04 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 178.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -158.16 -48.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -98.22 160.65 27.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.91 36.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.005 171.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -51.08 57.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -172.53 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.56 -38.2 66.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.211 -179.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.32 87.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.229 -175.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.7 t -64.86 -49.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -176.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.89 -35.46 71.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 179.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.37 -44.59 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.11 54.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.058 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 20.1 t -69.35 -54.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.436 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -45.01 -35.67 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 176.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 8.5 mttp -75.07 -53.19 9.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.408 ' HB3' ' N ' ' A' ' 200' ' ' ALA . . . -54.4 -34.61 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.08 . . . . 0.0 109.277 -178.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 18.2 mt -69.74 -50.75 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -177.413 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -59.65 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.47 -35.37 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.488 ' CH2' HD13 ' A' ' 209' ' ' LEU . 76.0 m95 -90.25 -35.65 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 107.951 -177.477 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -55.43 -22.59 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.59 -18.72 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.234 -174.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.31 19.24 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.326 -174.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.2 p -145.2 158.91 50.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 171.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.39 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.571 1.827 . . . . 0.0 110.964 174.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.404 HD23 ' CE1' ' A' ' 246' ' ' TYR . 29.9 mt -65.49 155.57 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -171.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 p -134.34 134.61 41.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 173.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.47 124.9 50.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -173.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -112.54 143.87 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 154.26 19.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -177.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.5 mt -136.09 154.57 50.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 178.035 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -115.85 -1.87 12.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 177.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.88 170.15 22.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.3 -169.6 54.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 177.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.0 109.7 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 -178.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.58 164.11 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 178.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.93 -46.4 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.77 90.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.97 97.75 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.38 136.66 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -176.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -149.02 160.81 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -175.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 10.7 m-85 -119.71 148.93 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 174.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.92 141.95 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.95 159.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 170.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 51.32 -164.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 135.29 53.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.4 p-80 -135.97 22.45 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.592 -165.39 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.2 -87.53 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.459 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.44 -168.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 -177.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -94.75 75.05 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -176.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.85 80.69 3.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.573 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.11 39.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.944 -170.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 0.8 OUTLIER -134.81 -165.55 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.996 -173.914 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 0.0 OUTLIER 88.17 -22.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 170.212 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -52.34 158.75 3.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 101.76 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.06 -126.57 7.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -175.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.44 -154.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 178.226 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.486 HG13 ' CE1' ' A' ' 157' ' ' PHE . 16.8 t -36.36 115.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.6 -39.86 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.23 146.76 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -136.75 170.52 15.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.61 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -150.59 178.01 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -131.93 145.3 51.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.051 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -54.27 179.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 171.496 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -74.96 148.52 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.193 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.74 -133.8 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.427 1.08 . . . . 0.0 110.975 -177.439 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.92 -18.39 64.34 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -169.193 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -29.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.354 177.347 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 3.0 m120 -88.16 147.1 25.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -177.504 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 95.08 -23.68 32.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 -178.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.27 158.75 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.244 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.69 116.54 21.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 175.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -100.72 123.92 45.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.641 -176.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 28.3 m-85 -112.0 167.33 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 18.7 t0 -88.45 137.22 32.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 175.003 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 178.204 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.2 -26.56 56.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -177.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.8 152.64 29.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -177.894 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.78 155.98 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.343 177.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -144.92 152.53 40.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 108.018 179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.2 p -140.01 -174.9 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 177.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -118.29 16.43 13.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.368 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -155.44 -165.34 1.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.5 p -94.69 49.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.7 t -109.61 -28.69 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 173.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.19 -141.9 4.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 175.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.8 m -86.77 87.51 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.381 173.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -48.64 109.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.95 -54.88 42.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -176.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -48.0 -47.59 33.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -176.185 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -41.97 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.227 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 75.3 t -76.04 -32.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.71 -44.1 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 178.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . 0.408 ' N ' ' HB3' ' A' ' 120' ' ' ALA . . . -63.85 -42.41 97.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -178.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -62.74 -51.49 66.95 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 121.14 -0.975 . . . . 0.0 110.814 178.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -55.31 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -31.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -177.267 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.85 -46.33 83.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.956 177.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 79.0 m-70 -67.37 -36.45 81.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.626 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 t -62.75 -38.94 92.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.919 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.0 -101.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -173.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -151.09 27.17 1.0 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.488 HD13 ' CH2' ' A' ' 124' ' ' TRP . 92.1 mt -117.92 172.47 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 109.329 173.043 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.516 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 11.9 m-85 -153.15 -71.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.947 177.704 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 39.1 m170 -145.25 139.29 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.618 -174.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -113.81 173.42 6.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.066 -176.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.39 9.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 35.5 t30 -56.74 147.39 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 5.3 p -96.67 -17.62 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -177.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.05 -5.49 56.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 179.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.18 -177.24 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.38 -43.85 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -176.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 81.8 mmm -69.5 -9.44 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -175.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.611 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 14.5 t80 -44.56 141.66 2.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 173.198 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.611 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -167.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.71 133.77 43.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -46.98 147.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 -177.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -141.94 152.81 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.561 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 46.3 p -159.77 133.95 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.1 tp -95.78 154.04 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.0 p -47.6 -37.38 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 178.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -131.0 106.64 8.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.256 -178.613 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.6 p -74.67 -10.89 59.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 -178.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -111.34 -5.28 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -49.36 147.45 3.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.871 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.0 mtm180 -155.19 154.25 31.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 176.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.5 142.89 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 37.1 t -90.9 168.95 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 176.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -30.77 67.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 110.277 -178.029 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.54 -40.64 92.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.32 -49.38 56.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.371 -177.275 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 240' ' ' ASN . 2.6 mp -65.18 -35.33 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -176.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 239' ' ' ILE . 2.5 t-20 -37.13 -44.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -84.25 -47.35 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -176.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.418 ' CG2' ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -61.55 -17.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -174.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -95.36 -41.81 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 179.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 34.9 t -62.19 -35.94 80.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -178.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.7 mt -86.08 -15.3 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -177.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.428 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 13.8 m-85 -151.8 -93.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.434 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.08 125.82 1.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.68 26.5 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.445 1.761 . . . . 0.0 111.018 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.03 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 178.07 7.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 179.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 141.78 58.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.497 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.5 OUTLIER 167.79 -55.88 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.39 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.97 65.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -96.05 -13.25 23.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.346 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 47.1 m . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.369 179.753 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.644 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -144.43 169.43 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -125.63 -139.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -175.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -170.04 171.01 3.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -175.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.08 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.96 -11.65 7.76 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -171.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 mt 64.07 114.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.02 122.55 7.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.595 1.84 . . . . 0.0 111.001 -179.168 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.1 ptpt 163.89 124.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -173.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -71.37 126.96 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 174.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.87 -13.6 56.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -176.597 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -102.9 158.85 15.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 176.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -94.75 -30.37 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 178.163 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -82.33 98.91 9.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.1 mt -97.27 151.04 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -177.242 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.55 146.54 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 172.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -138.85 171.58 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 111.032 177.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -164.88 148.89 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.25 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.54 113.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 172.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.19 -41.87 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -174.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -155.16 168.41 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.52 178.2 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -177.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.11 144.54 28.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -176.67 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.06 6.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -160.61 -48.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.94 158.38 31.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.59 35.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.962 170.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -56.18 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -172.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.18 -36.14 65.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -176.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.0 t -66.01 -53.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -178.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.47 55.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.273 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.0 t -59.12 -47.11 86.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.32 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.44 63.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.0 t -78.76 -50.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -47.88 -29.19 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 174.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' SER . 12.1 mttm -90.41 -50.78 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.253 -176.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.82 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.7 mt -55.42 -52.31 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -58.11 -40.14 80.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -176.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -32.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -178.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 209' ' ' LEU . 89.6 m95 -91.62 -32.89 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.045 -177.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.77 -23.81 19.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 177.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.01 -19.09 52.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -174.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.36 17.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -172.255 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.2 p -144.99 160.3 46.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 170.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.68 20.28 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 174.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.455 HD23 ' CE1' ' A' ' 246' ' ' TYR . 77.4 mt -65.69 157.09 31.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -170.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.6 p -131.01 157.82 41.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -128.65 134.74 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -175.292 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -125.9 151.82 46.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.006 179.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.3 149.89 21.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.289 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.3 mt -130.66 100.24 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 178.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -54.36 -26.17 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.76 160.43 42.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.339 175.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.44 -175.61 30.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.41 147.96 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 0.712 . . . . 0.0 110.276 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.98 155.54 46.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -62.48 -41.84 99.08 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.4 mt -115.47 83.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.55 87.51 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.087 -178.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.82 134.38 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 -175.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 166.32 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -174.355 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -125.36 155.99 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 177.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.6 142.63 11.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.373 177.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.5 m -105.97 -177.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 174.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 150' ' ' GLU . 9.1 ptm180 40.47 -160.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 176.716 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.442 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 3.9 tm-20 -64.41 112.05 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 176.509 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.2 p-80 -109.77 50.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.576 176.494 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.35 -169.51 6.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -177.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.55 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 1.3 m-20 60.05 178.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 109.356 176.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.1 t80 -86.94 -6.5 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 -173.002 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -117.73 94.5 46.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 179.261 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -176.83 3.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -130.26 137.16 49.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 173.919 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 162.77 116.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -177.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 153.46 154.36 6.73 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.567 1.167 . . . . 0.0 110.957 174.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 175.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.59 -112.97 4.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -175.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 45.47 -153.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.313 178.844 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.469 HG13 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -38.29 122.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 176.539 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.47 -36.49 8.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 175.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.54 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 2.0 p-80 -132.55 158.09 43.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 178.875 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -147.27 161.82 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.487 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 46.6 m-85 -136.88 163.87 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -173.068 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.38 176.03 0.24 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 153.92 42.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 175.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 164.17 -131.4 2.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.102 . . . . 0.0 111.035 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.584 1.833 . . . . 0.0 110.999 179.249 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.44 -17.29 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -170.374 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . 0.55 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -81.13 -33.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 177.668 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.1 m-80 -86.87 155.67 20.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -176.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.52 -37.32 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.05 -179.131 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 29.0 t0 -75.58 148.67 38.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -119.75 119.71 34.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 22.6 m170 -88.82 127.85 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -176.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 16.4 m-85 -112.0 161.77 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 173.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -87.72 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 174.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.88 -26.88 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.93 -26.77 59.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.295 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.05 156.52 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.2 tt0 -73.62 155.57 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 176.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.404 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 80.7 m95 -146.26 154.36 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.583 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -136.36 174.35 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 175.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -112.14 17.95 19.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 174.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -163.52 -167.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -178.31 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.7 p -89.08 68.0 8.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.409 -176.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.5 t -144.63 21.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 176.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.583 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . 178.55 -142.86 5.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.9 m -84.72 71.68 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 110.406 171.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 193' ' ' THR . 24.5 t-20 -39.39 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -176.334 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.13 -49.42 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 -171.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.64 -40.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -175.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.409 ' CD2' ' H48' ' A' ' 256' ' ' INH . 1.0 OUTLIER -57.56 -39.97 77.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 178.36 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.6 -30.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -62.65 -48.61 78.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.06 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -177.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.31 -49.73 76.7 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.124 -0.985 . . . . 0.0 110.833 175.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.3 -61.39 2.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 177.202 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -46.91 -40.82 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.01 -53.62 22.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -61.53 -38.06 86.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 109.653 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.9 t -63.13 -39.46 94.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 -178.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.11 -70.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -178.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.32 45.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 124' ' ' TRP . 8.5 mt -115.72 163.67 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 175.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 20.5 m-85 -156.32 166.81 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 174.085 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 210' ' ' PHE . 50.6 m170 -38.88 122.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.566 -173.061 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 30.3 t -80.96 -89.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -175.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . 171.7 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -176.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.07 147.98 50.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 24.6 p -82.27 -27.05 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -178.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -12.62 60.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -177.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -82.12 143.54 31.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -11.73 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 174.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.2 tpt -80.47 -13.68 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.552 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.5 t80 -55.19 142.88 56.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 178.419 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.05 51.93 2.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -178.277 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.11 138.56 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 175.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -71.57 151.8 43.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 177.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -169.72 122.92 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.2 p -96.62 133.96 40.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 227' ' ' THR . 44.9 tp -90.49 137.82 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 178.265 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 227' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 226' ' ' LEU . 67.2 p -33.57 -61.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 100.52 7.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 176.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.58 -18.73 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -177.3 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -11.4 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -177.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -116.45 -5.89 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 -178.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 2.3 t80 -45.12 150.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -175.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 153.31 31.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.177 . . . . 0.0 110.319 179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . 0.409 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 7.7 mt -77.06 135.72 38.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 176.318 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 27.1 p -67.18 157.35 33.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -30.12 40.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -178.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -42.31 83.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -70.44 -44.65 67.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.394 -176.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.43 -37.2 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -177.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.34 -44.85 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.523 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.84 7.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -175.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -21.58 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -175.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -85.92 -45.65 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 24.1 p -51.09 -33.34 25.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.046 -177.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.13 -32.95 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . 0.455 ' CE1' HD23 ' A' ' 130' ' ' LEU . 28.1 m-85 -129.81 -93.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -178.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.7 117.02 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.167 . . . . 0.0 110.988 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 177.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.1 32.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.9 7.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.042 179.137 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.14 162.3 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 16.4 m -156.6 75.67 4.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 75.89 3.61 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.546 1.814 . . . . 0.0 110.966 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.92 134.64 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.428 -179.715 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.553 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.555 0.217 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -146.45 179.04 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.7 p -127.57 -157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 178.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.584 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -144.66 174.14 3.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -176.007 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.04 82.1 2.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 177.264 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.96 -11.79 4.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.143 . . . . 0.0 111.031 -173.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt 66.94 113.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.95 11.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.551 1.817 . . . . 0.0 111.065 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 pttt 175.59 120.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -178.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -69.65 148.31 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 107.996 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -89.07 -1.38 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -174.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 149.35 47.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 178.334 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -85.9 -29.41 23.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -73.46 80.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.6 mt -79.64 154.92 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.45 152.03 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 175.173 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -142.71 174.57 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -165.4 152.47 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -178.241 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mm -106.42 115.47 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 172.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.72 -38.91 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -174.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -159.21 168.04 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.565 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -122.42 179.24 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -176.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.81 142.52 24.97 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -177.855 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -75.01 66.84 6.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -161.56 -48.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 mt -102.29 157.0 34.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 165.52 31.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 170.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -62.94 -61.24 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -175.152 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.94 -37.79 33.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -176.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.55 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -175.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.05 -53.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -178.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.86 -33.81 57.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.666 1.229 . . . . 0.0 109.305 -178.229 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -62.72 -47.99 81.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.26 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 18.0 t -71.31 -54.32 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -44.48 -35.04 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 7.8 mttm -80.8 -49.63 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -176.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.4 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 21.7 mt -66.95 -51.23 57.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -60.93 -38.38 85.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -35.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.24 -179.232 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.558 ' CH2' HD11 ' A' ' 209' ' ' LEU . 64.5 m95 -88.48 -36.76 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.039 -177.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.79 -23.18 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.244 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.6 -18.89 50.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -174.504 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.87 19.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -174.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.9 p -144.09 158.92 54.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 170.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.14 21.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 175.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.56 156.81 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -171.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -134.16 134.82 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 174.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.86 130.6 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -174.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -119.0 149.85 40.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -91.71 151.97 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -178.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.5 mt -132.4 107.63 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 177.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -64.92 -18.4 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -178.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -160.39 166.02 30.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 174.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.28 -173.08 33.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 177.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.82 148.54 24.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.378 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.89 155.43 46.76 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.12 -35.9 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -176.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.55 81.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 178.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.74 88.73 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -178.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.3 133.61 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.8 p -140.58 156.25 46.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.955 -173.604 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -116.06 148.3 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.985 174.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.59 143.54 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 m -106.2 164.57 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 175.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 43.88 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 175.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.32 110.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 177.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.0 p-80 -111.65 35.26 3.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 171.823 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 78.72 -176.13 54.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -176.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' CB ' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER 61.9 -168.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 178.022 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.9 t80 -98.66 -1.98 39.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 -171.161 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.459 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -118.34 96.76 50.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.499 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 175.53 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.468 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 0.3 OUTLIER -143.02 -168.31 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 178.416 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 7.2 t0 80.84 115.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 178.379 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 172.25 176.22 40.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 177.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 81.42 2.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 178.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.5 -105.85 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -176.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.27 -155.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 109.28 177.7 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -36.17 121.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.01 -40.2 9.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 176.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.08 142.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -135.33 161.09 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -145.48 170.58 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 73.8 m-85 -143.57 146.66 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -175.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -46.27 167.64 0.13 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 175.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 155.54 42.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 165.1 -126.84 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -176.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.64 -17.98 63.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -168.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.57 -30.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 0.733 . . . . 0.0 109.369 177.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.2 m-20 -88.97 154.77 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -175.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.24 -32.42 4.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 178.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -74.99 162.86 28.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.17 118.45 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 178.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -96.3 122.21 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -174.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 175.133 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.99 134.33 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 174.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.46 -23.69 13.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.162 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 53.94 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -176.298 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -167.2 168.38 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 172.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.97 155.82 34.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -176.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -144.16 157.55 44.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 177.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.581 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 18.7 p -140.38 172.63 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.46 176.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -115.89 20.86 14.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -163.79 176.12 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 -178.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.0 p -77.22 87.86 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.392 -177.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.2 t -156.94 -43.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 177.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.581 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -116.01 -137.54 6.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 173.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 70.6 m -80.93 87.94 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.445 171.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -51.88 105.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -177.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.18 -51.54 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 -173.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -55.46 -42.66 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -174.65 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -37.35 77.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 178.437 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.99 -32.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.07 87.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -63.38 -49.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -52.84 -50.27 64.08 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 121.119 -0.988 . . . . 0.0 110.84 177.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.93 -68.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 124' ' ' TRP . 1.2 mp -51.62 -33.17 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.72 -48.44 29.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 177.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -72.05 -37.2 69.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.55 179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.7 t -57.36 -42.83 82.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.43 -86.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 -176.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.62 37.97 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.558 HD11 ' CH2' ' A' ' 124' ' ' TRP . 7.0 mt -109.11 164.05 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 175.226 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.3 m-85 -158.14 164.12 36.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 176.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -37.72 126.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.585 -171.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 28.8 m -91.44 165.89 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -75.71 -33.93 60.34 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 178.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.28 149.27 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.235 178.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 215' ' ' THR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 68.1 p -105.43 -12.34 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.69 -4.91 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.5 163.81 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -177.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -16.54 54.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 177.125 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.41 -12.31 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 -177.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.534 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.3 t80 -60.72 132.75 91.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.397 1.061 . . . . 0.0 110.999 178.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.534 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.97 63.04 5.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 111.005 -179.218 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.0 132.47 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.99 144.93 53.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.14 123.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.663 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.2 p -105.68 134.24 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.1 tp -82.76 152.52 25.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 178.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.6 t -51.77 -27.8 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 178.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.23 106.53 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.213 176.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -70.68 -18.44 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.143 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 t -62.83 -6.93 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -113.63 -6.78 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -178.128 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -49.88 143.8 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -176.435 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . 0.473 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -152.84 153.34 32.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 177.308 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.0 134.25 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 176.328 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.6 p -67.49 169.88 8.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -63.03 -25.63 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -178.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.12 -41.03 97.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.24 -48.54 56.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -175.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.43 -41.81 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -176.444 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -45.81 45.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.89 -47.97 8.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -175.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -20.43 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -175.155 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -91.28 -36.74 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 20.3 m -56.49 -33.04 65.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -177.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -94.3 -14.21 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -176.092 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -138.81 -93.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 177.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.15 113.72 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 172.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.96 28.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 178.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.57 8.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.12 154.81 41.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 169.08 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.115 . . . . 0.0 110.04 -178.173 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.99 94.79 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.67 -52.23 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 47.8 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.398 -179.584 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.477 ' C16' ' C1 ' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.487 ' CE1' ' CD2' ' A' ' 209' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.476 0.179 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -91.83 159.44 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.2 p -147.36 -75.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -175.233 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 174.16 167.91 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 173.886 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.99 111.94 3.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.715 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.25 -11.69 63.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.1 mt 49.5 71.02 1.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.05 13.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 170.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -159.39 149.96 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -176.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.49 135.44 56.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.019 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.88 -6.61 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -178.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.413 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 6.5 pttm -110.56 151.38 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 p -90.94 -32.46 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.421 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -74.78 76.17 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.28 156.24 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -177.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.12 156.45 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 175.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -149.78 170.84 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 178.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -165.73 137.43 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -176.156 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 101' ' ' ILE . 3.0 mp -100.56 118.21 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 175.06 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.7 -40.81 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.214 -175.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -152.43 172.19 16.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -178.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -128.23 -172.36 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.925 -175.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.76 143.29 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -176.607 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.02 62.87 5.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 178.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.71 -48.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 mt -103.93 158.86 31.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.057 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 167.37 27.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 172.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -62.6 -62.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 -172.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.07 -35.16 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -175.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.1 93.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -176.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.44 -51.2 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 -179.263 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.77 -33.09 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -60.75 -46.43 90.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.36 -39.52 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -178.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.25 -51.74 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -45.24 -33.03 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.0 mttm -85.97 -53.62 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -175.717 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.13 -41.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -177.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.92 -53.5 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -33.27 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -173.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.16 -32.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.415 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.45 ' CZ3' HD11 ' A' ' 242' ' ' ILE . 85.2 m95 -86.76 -35.4 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.84 -26.56 36.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.54 -18.37 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 110.254 -176.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.4 m -131.04 17.2 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -173.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 77.7 p -144.9 159.71 49.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.59 21.47 Favored 'Trans proline' 0 C--N 1.362 1.261 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.56 153.75 26.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -172.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -134.5 134.57 41.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 173.405 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.83 141.9 37.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 111.018 -172.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -131.39 161.15 33.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -109.1 152.38 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.8 mt -131.67 136.75 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.337 178.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -88.89 -9.01 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -155.12 170.82 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 177.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.26 -169.4 49.61 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 177.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.69 106.81 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 110.304 -178.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.52 163.18 26.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.413 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -63.47 -43.38 97.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -178.405 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.6 mt -113.74 88.64 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.17 92.15 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.92 146.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -178.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 m -154.07 169.19 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -176.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 19.0 m-85 -127.31 149.55 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 176.237 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.03 146.31 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.3 m -105.66 153.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 176.026 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 45.6 -163.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 178.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.45 122.8 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 42.3 p-80 -131.87 37.53 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -171.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 104.67 -58.48 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.577 1.173 . . . . 0.0 110.987 172.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.483 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.4 p30 -73.6 175.34 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.743 . . . . 0.0 109.283 -173.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.8 t80 -83.43 -0.37 49.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -174.093 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.48 95.32 22.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 173.433 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -170.63 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.429 1.752 . . . . 0.0 110.958 -177.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 0.4 ' CE1' HG11 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -136.48 -178.89 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.195 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -71.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -178.716 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 152.06 -94.5 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.67 12.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.052 178.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.94 -170.73 49.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.44 -161.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 0.794 . . . . 0.0 109.377 178.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.4 HG11 ' CE1' ' A' ' 157' ' ' PHE . 19.3 t -44.87 120.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.8 mt -88.84 -42.04 12.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.95 139.7 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 177.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 1.7 p-80 -130.97 163.69 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 -176.024 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -155.35 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.444 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER -142.95 145.07 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -176.805 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -50.54 173.91 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 173.838 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 158.25 42.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.945 -176.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 165.82 -128.83 1.83 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -177.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.92 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 0.0 110.967 176.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.0 61.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 -170.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 5.7 tp -85.09 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 109.39 178.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 4.2 m-20 -88.64 157.1 18.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -176.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.87 -27.33 8.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 165.78 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 0.702 . . . . 0.0 109.356 -177.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.22 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 178.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -106.4 121.96 45.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.561 -175.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 30.8 m-85 -103.84 167.77 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 174.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.34 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -12.51 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.367 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.15 23.93 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -177.489 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -143.04 156.77 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.0 tt0 -73.47 156.25 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.423 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 87.4 m95 -143.51 155.73 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 107.995 177.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.525 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 0.1 OUTLIER -145.92 169.66 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 176.583 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 8.18 44.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 178.564 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.64 -164.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.7 p -96.22 57.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -176.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.7 t -124.8 10.59 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 173.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.525 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -170.52 -143.12 3.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 m -83.76 93.98 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 170.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.14 109.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -176.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.4 -57.73 6.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -173.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -52.09 -46.4 65.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 111.06 -174.047 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -35.77 81.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -177.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.66 -31.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.64 80.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -178.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -60.71 -47.67 85.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.31 -49.54 74.02 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 121.12 -0.988 . . . . 0.0 110.898 177.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -52.33 -61.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 177.713 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.08 -35.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -174.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.11 -43.99 83.54 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 178.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 205' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 44.2 m-70 -65.04 -35.26 80.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.593 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.3 m -71.45 -31.44 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -177.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.56 -99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -154.13 26.53 0.71 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . 0.487 ' CD2' ' CE1' ' A' ' 83' ' ' PHE . 74.8 mt -122.91 169.29 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 173.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 210' ' ' PHE . . . . . 0.629 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.2 m-85 -146.01 -57.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 172.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 41.4 m170 -149.23 123.51 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -178.097 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 79.6 p -78.94 -105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -177.291 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -179.55 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -176.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.7 149.9 29.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 75.6 p -86.56 -27.59 23.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -176.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.36 -3.31 58.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -176.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.97 -153.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.99 -50.2 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -174.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.3 mmm -66.04 -10.72 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -178.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . 0.521 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.8 t80 -45.75 133.21 6.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.916 174.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.23 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 109.305 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.5 144.1 54.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -145.04 123.96 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 -177.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 78.5 p -107.41 177.32 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 178.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.5 tp -155.25 146.17 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -51.14 -32.88 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.56 108.76 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 177.076 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -65.24 -18.03 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.222 -178.046 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -8.79 3.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.46 -6.02 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -176.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -55.89 143.27 32.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 111.03 -177.735 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -156.91 147.95 21.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 234' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.5 125.25 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 59.4 m -70.16 162.44 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.02 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.11 -28.51 40.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.31 -41.96 98.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.46 -47.99 76.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -178.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 239' ' ' ILE . . . . . 0.4 ' HA ' HG21 ' A' ' 242' ' ' ILE . 2.8 mp -67.91 -36.31 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -175.036 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -49.23 -44.67 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . 0.429 ' HA3' ' CD2' ' A' ' 83' ' ' PHE . . . -77.19 -56.48 3.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -177.137 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 242' ' ' ILE . . . . . 0.45 HD11 ' CZ3' ' A' ' 124' ' ' TRP . 1.6 tp -53.91 -44.77 62.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 109.335 -173.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -71.63 -26.52 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -176.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 37.2 t -68.94 -29.15 67.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 177.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.33 -28.34 38.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 176.217 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -142.0 -90.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -176.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.48 119.16 3.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 177.062 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.22 27.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.45 7.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.68 8.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.45 159.2 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 2.3 p -70.69 149.27 95.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.06 5.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.74 160.07 16.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.397 -179.851 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 256' ' ' INH . . . . . 0.404 ' C1 ' ' C16' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.7 p -116.86 -126.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.643 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 178.28 170.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -175.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.96 85.21 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.58 1.832 . . . . 0.0 111.008 177.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.4 -7.64 5.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.1 mt 67.15 115.96 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.476 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -75.0 129.48 12.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.2 pttp 176.91 123.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -74.47 149.82 40.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -84.59 -4.4 58.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -134.05 148.23 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.1 p -85.87 -34.77 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.83 85.36 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.74 162.27 18.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 150.38 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.3 p90 -143.49 169.98 16.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -166.04 138.09 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.45 114.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.3 t -73.82 -40.52 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -147.48 163.54 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.47 -172.68 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.75 143.2 28.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 -178.398 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.0 62.42 5.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.75 -48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.9 mt -103.77 159.91 27.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.11 25.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 171.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.74 -34.47 52.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.88 -45.34 86.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.35 -52.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -53.72 -33.44 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -42.25 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.1 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 25.4 t -68.79 -55.1 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.89 -34.8 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.98 -50.86 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.24 -41.82 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 25.4 mt -61.62 -53.05 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -57.34 -40.45 78.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -52.29 -35.35 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.672 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.6 m95 -93.22 -30.79 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.11 -23.46 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.45 -19.36 53.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 242' ' ' ILE . 6.5 m -129.73 17.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -171.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -145.92 160.54 43.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 168.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.14 20.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 111.011 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' A' ' 246' ' ' TYR . 86.3 mt -60.34 155.04 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -170.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.7 p -132.94 164.58 26.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -136.26 157.74 46.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -173.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -154.15 145.38 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -96.29 148.81 22.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.4 mt -125.74 111.15 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -55.48 -25.5 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -155.02 160.23 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.14 -172.44 17.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -105.77 102.9 12.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.343 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.81 161.95 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.25 -46.89 81.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.47 88.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.4 mtt -91.14 87.38 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.19 123.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -142.99 125.3 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 4.8 m-30 -85.04 160.87 19.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.81 141.51 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.2 m -96.43 164.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 173.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 41.35 -149.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.94 141.78 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.575 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 52.3 p-80 -156.66 48.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 84.63 179.93 51.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 46.04 -160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.57 75.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.575 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.31 67.59 5.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 176.255 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.72 2.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -168.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.467 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 51.34 -152.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.467 HG12 ' CE1' ' A' ' 157' ' ' PHE . 41.0 t -37.08 116.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 193' ' ' THR . 9.6 mt -89.72 -40.1 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 141.01 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -127.55 161.03 29.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.67 155.64 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -111.16 167.43 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.29 168.69 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 176.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -69.69 146.47 51.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.54 -30.86 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.93 167.84 21.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.76 . . . . 0.0 109.332 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.36 131.05 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 3.8 m170 -116.1 134.8 54.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.9 m-85 -102.71 -178.06 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -99.86 111.38 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.72 -17.79 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.42 ' N ' HG12 ' A' ' 148' ' ' VAL . 12.9 t0 -89.74 49.91 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.51 151.12 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -74.24 154.72 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -142.85 155.88 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 -176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.565 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 24.4 p -144.61 172.53 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -112.87 19.45 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.32 -179.79 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.2 p -75.21 84.34 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.7 t -156.58 -43.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.565 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.4 -135.4 8.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 173.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 194' ' ' ASN . 91.9 m -99.56 78.63 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.387 167.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 229' ' ' LEU . 16.0 t-20 -33.77 115.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -173.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.36 -58.41 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.46 -46.56 26.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.603 ' CD2' HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -53.78 -40.99 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.28 -30.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -70.5 -38.5 74.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.863 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.32 -22.76 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -76.41 -59.13 2.9 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 121.132 -0.98 . . . . 0.0 110.824 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -52.81 -50.27 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.476 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -53.81 -36.4 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -178.185 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.8 -44.45 70.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 43.9 m-70 -61.79 -38.82 89.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.645 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 41.6 m -68.54 -36.29 78.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.11 -48.74 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 134.21 56.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.862 HD22 HD12 ' A' ' 242' ' ' ILE . 1.5 pt? -163.24 145.86 10.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 171.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 211' ' ' HIS . 26.8 m-85 -120.0 -173.36 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 49.0 m170 -40.03 138.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.578 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.03 176.4 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -103.49 56.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 5.8 t-20 -154.82 145.91 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.5 t -90.12 -25.99 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.93 -14.12 59.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.92 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -15.65 30.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -177.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.601 ' N ' HD23 ' A' ' 218' ' ' LEU . 91.7 mmm -80.05 -8.81 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.1 t80 -58.9 145.0 80.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.04 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.09 134.46 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -53.64 143.07 21.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -144.35 124.22 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 6.5 m -117.62 177.33 4.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.68 149.68 33.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.9 t -47.28 -35.73 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -142.52 98.07 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.17 -18.43 65.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -8.22 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.5 mmt-85 -116.34 -6.09 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.674 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -44.57 152.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -175.457 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -157.21 156.47 32.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.742 HD11 ' CG1' ' A' ' 123' ' ' VAL . 7.5 mt -78.97 142.18 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 159.03 31.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -54.28 -30.24 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -44.04 83.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -50.78 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.811 HG23 ' OE1' ' A' ' 243' ' ' GLN . 2.1 mp -57.86 -38.94 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 240' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 239' ' ' ILE . 49.7 t-20 -38.34 -52.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.15 -49.2 6.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.862 HD12 HD22 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -56.52 -27.36 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 -173.319 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 243' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 239' ' ' ILE . 0.0 OUTLIER -93.63 -40.13 10.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 8.0 m -58.79 -25.08 62.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 90' ' ' PRO . 13.6 mt -91.56 -16.37 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.497 ' CE1' HD21 ' A' ' 130' ' ' LEU . 28.6 m-85 -143.72 -94.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 101.52 115.15 3.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.87 28.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.94 32.34 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.221 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -119.69 -114.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.86 170.38 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -178.145 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.12 81.66 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.51 -9.33 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -173.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' HG2' ' A' ' 91' ' ' LYS . 43.0 mt 66.2 112.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.41 10.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG2' HG22 ' A' ' 89' ' ' ILE . 12.2 ptpt 172.4 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -68.65 152.5 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 108.049 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -87.33 -4.79 59.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.54 143.39 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -86.88 -38.19 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -75.09 78.2 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.563 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.48 154.9 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.75 145.6 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 172.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.2 p90 -138.86 171.98 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -163.26 147.65 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -102.33 118.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -80.88 -40.36 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -152.03 166.33 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.49 156.38 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 1.3 t -79.79 143.14 57.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.9 64.23 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.75 -48.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 108' ' ' LEU . 25.6 mt -101.07 158.13 32.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.03 169.43 22.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -64.77 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -37.98 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.11 -45.47 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -175.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -53.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -34.44 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -57.46 -45.46 84.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.93 -40.19 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 99' ' ' TYR . 4.9 t -77.02 -52.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.369 1.043 . . . . 0.0 109.264 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -46.62 -30.07 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.2 mttm -88.84 -51.56 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.49 -39.74 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 76.7 mt -66.06 -53.13 42.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -35.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.9 -35.96 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -177.781 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.7 m95 -89.79 -29.7 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.007 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.49 -23.1 24.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.72 -19.61 51.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.553 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -130.61 16.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -171.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.9 p -144.66 159.25 51.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 171.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.76 20.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 246' ' ' TYR . 67.9 mt -59.13 154.56 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -170.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.8 p -135.38 134.48 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.24 145.22 40.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -141.81 146.37 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -95.25 150.96 19.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.9 mt -126.4 100.69 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.347 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -49.62 -30.18 8.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.33 163.36 36.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.357 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.27 -169.71 30.78 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -94.7 147.77 22.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.08 162.15 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.37 -42.79 98.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.92 94.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.2 mmt -90.8 82.31 5.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.09 131.4 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -173.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -153.05 142.22 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.1 m-30 -101.94 160.63 14.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.76 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.5 m -93.95 167.37 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.8 OUTLIER 35.66 -134.91 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 176.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.7 141.61 56.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.614 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 56.7 p-80 -166.41 43.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 176.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.56 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 89.3 179.8 45.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER 43.59 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 177.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 154' ' ' PHE . 2.7 p90 -131.0 80.69 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 111.023 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.614 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.02 77.5 5.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 115.32 4.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.812 . . . . 0.0 111.026 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.755 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.3 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.72 -162.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.755 HG12 ' CE1' ' A' ' 157' ' ' PHE . 38.2 t -34.26 112.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 170.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.14 -40.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.9 2.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.59 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 7.4 p-80 -127.65 163.37 24.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -161.6 157.87 25.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -113.53 175.28 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.732 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -68.59 172.85 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.732 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 -174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -85.79 163.12 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.52 -37.73 2.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.7 t0 -72.3 152.46 42.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.302 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -120.45 139.12 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.384 1.052 . . . . 0.0 109.378 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -121.06 136.25 55.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.619 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 30.0 m-85 -109.93 -178.92 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -95.12 134.79 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.86 -20.66 14.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.46 51.56 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -163.98 153.5 14.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 56.8 tp60 -74.38 154.99 38.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.264 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.501 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 95.2 m95 -143.72 156.68 44.6 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.667 HG21 ' HA3' ' A' ' 192' ' ' GLY . 31.7 p -134.56 163.47 29.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -92.05 -24.1 19.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -134.42 -172.03 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.3 p -75.33 69.66 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.447 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.1 p -135.29 13.18 3.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 110.398 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.667 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 175.59 -139.01 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 27.6 m -84.01 87.15 7.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.428 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.65 114.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.84 -51.47 55.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -51.22 -54.39 26.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 -178.144 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.3 OUTLIER -57.46 -34.87 69.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -177.674 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.26 -31.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.78 -34.1 74.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -174.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.811 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -75.05 -59.02 2.93 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 121.202 -0.936 . . . . 0.0 110.835 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 203' ' ' ILE . 0.9 OUTLIER -53.23 -49.72 66.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.479 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.5 OUTLIER -54.28 -39.8 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -178.669 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.86 -41.7 52.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.642 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 87.8 m-70 -64.28 -42.12 96.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.644 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.7 t -64.61 -31.68 73.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.25 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -162.61 34.38 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.936 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 242' ' ' ILE . 13.7 mt -126.75 177.33 6.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.607 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -152.74 -68.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.928 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 210' ' ' PHE . 8.7 m-70 -148.1 134.78 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.531 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 212' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 7.0 m -91.36 -99.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.459 1.1 . . . . 0.0 110.022 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.81 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.209 -176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.6 148.32 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.8 t -89.71 -21.84 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.55 -13.57 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.93 168.59 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -98.86 -16.63 18.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 177.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 0.0 OUTLIER -81.87 -15.34 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -177.587 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.541 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 31.9 t80 -47.81 140.63 8.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.541 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.96 50.75 2.59 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 2.5 tp -168.04 150.55 5.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.54 149.9 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -158.56 123.12 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 149.66 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.055 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.4 tp -123.52 128.73 50.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 227' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 226' ' ' LEU . 27.5 m -34.72 -57.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -98.48 91.23 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -74.03 -18.34 60.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -174.599 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.409 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -61.98 -7.0 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 -177.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 229' ' ' LEU . 29.7 mtt-85 -114.72 -5.96 12.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -52.35 144.34 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -177.33 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.489 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 6.4 ttt180 -154.49 155.68 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.7 mt -72.02 133.95 45.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.7 p -70.72 168.73 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -62.08 -27.84 69.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.11 -35.65 67.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -50.8 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.667 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -59.16 -35.11 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.56 -49.0 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.58 -52.86 4.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.58 -46.33 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.227 -174.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -27.7 59.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -174.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -67.55 -38.2 83.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.37 -40.1 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.402 ' CE2' HD11 ' A' ' 130' ' ' LEU . 43.9 m-85 -112.26 -90.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.92 112.81 2.76 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.51 26.83 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 110.925 179.265 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -130.41 134.57 47.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.394 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.69 170.8 0.27 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.65 6.72 12.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.6 mt 55.89 96.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.289 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt 172.56 123.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -65.08 156.19 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -94.65 -4.1 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 110.233 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -123.38 150.6 43.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.0 p -89.93 -30.7 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.9 74.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.58 159.13 30.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.251 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.93 149.39 50.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -139.88 173.47 11.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -165.42 146.25 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -101.59 115.96 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.94 -40.48 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -175.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -157.95 171.52 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -123.75 -170.74 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -116.01 143.89 31.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -177.314 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 67.46 5.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -162.63 -47.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 108' ' ' LEU . 21.4 mt -104.85 158.36 32.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.99 169.01 23.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 171.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.81 -60.27 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -51.12 -35.63 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.58 -45.97 87.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.23 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.61 -51.14 60.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.11 -34.59 63.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -60.78 -46.86 88.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.78 -40.56 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.12 -52.1 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.36 -30.11 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -86.74 -53.46 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.32 -45.49 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.56 -52.62 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.44 -35.3 77.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.36 -34.83 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -178.264 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.5 m95 -87.19 -33.25 19.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.77 -24.25 34.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.44 -18.23 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.63 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -132.88 21.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -171.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.491 ' CG2' HG12 ' A' ' 242' ' ' ILE . 73.0 p -145.81 160.2 44.68 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 171.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.23 21.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 173.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 58.3 mt -58.39 156.27 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -172.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.6 p -137.75 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -106.46 125.49 51.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.2 t -106.25 162.1 13.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.37 146.99 28.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -133.24 136.12 45.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -95.4 -10.54 29.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.11 171.29 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.66 -175.78 45.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.3 104.42 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.48 160.02 26.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -39.47 94.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.4 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.8 mt -117.6 88.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -90.56 90.46 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.39 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -155.2 165.24 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.015 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -119.11 141.61 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -153.44 166.73 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 109.271 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.53 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -134.74 176.61 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 148' ' ' VAL . 19.7 ptp180 33.52 -153.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 33.3 tt0 -59.29 110.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.653 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 26.3 p-80 -120.15 26.5 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.661 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 112.63 38.1 1.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 155' ' ' TYR . 2.1 t0 178.22 -164.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -107.29 64.69 0.64 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.99 64.23 3.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 149' ' ' ARG . 18.3 Cg_endo -75.08 131.08 13.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -170.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.53 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 4.3 m-30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 111.073 171.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.5 -156.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.3 t -40.42 111.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.1 mt -80.01 -39.86 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.16 143.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.1 OUTLIER -126.61 171.34 11.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -151.29 163.68 38.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -122.5 150.57 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.834 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -59.01 177.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 171.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -89.75 153.95 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.02 -22.98 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.49 166.38 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.241 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.668 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -133.76 106.61 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 17.2 m170 -93.66 120.2 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.594 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.46 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 40.7 m-85 -96.99 156.46 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.054 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -78.83 106.52 10.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -76.79 -29.36 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.97 52.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -164.03 146.68 9.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -71.91 154.86 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.223 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -139.93 155.77 47.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.663 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.5 p -138.09 179.5 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -118.32 14.12 13.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -162.36 179.24 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.5 p -79.43 77.89 5.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.6 t -143.42 -42.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.663 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.86 -134.57 5.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 32.6 m -92.21 88.43 6.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 110.389 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -48.83 117.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 199' ' ' ALA . 56.3 tp -69.04 -54.96 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -175.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.2 OUTLIER -51.84 -50.39 60.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.043 -176.439 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.6 OUTLIER -59.19 -35.21 73.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 t -76.5 -31.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -61.34 -40.17 93.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.3 -45.17 92.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.07 -51.42 66.41 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.668 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 0.3 OUTLIER -51.94 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 177.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.39 -41.81 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.55 -44.96 23.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.9 m-70 -71.58 -39.57 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.613 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.1 t -59.25 -35.5 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 242' ' ' ILE . 67.9 mt -72.59 -67.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -178.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.41 53.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.92 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.5 OUTLIER -153.49 126.92 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.733 . . . . 0.0 109.293 173.144 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 211' ' ' HIS . 35.3 m-85 -107.52 -176.16 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 210' ' ' PHE . 40.3 m170 -36.68 135.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.62 -173.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 p -92.3 -163.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -130.48 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.69 148.36 14.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 215' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 7.1 p -85.02 -23.46 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.396 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.7 -15.49 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.47 158.32 20.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.16 -27.22 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.616 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -66.4 -19.89 65.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 17.4 t80 -44.18 143.18 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 172.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -74.92 -35.61 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -169.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -74.46 131.07 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -65.55 147.13 53.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.3 123.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 83.5 p -119.35 133.66 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 227' ' ' THR . 62.2 tp -82.79 126.71 32.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 227' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 226' ' ' LEU . 39.2 m -34.38 -58.49 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.463 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -97.98 90.02 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.78 -18.9 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -173.79 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -7.97 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 229' ' ' LEU . 18.2 mmm180 -111.51 -6.08 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -54.62 144.99 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 -177.482 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -155.18 158.87 39.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 176.522 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.603 HD11 ' CG1' ' A' ' 123' ' ' VAL . 20.3 mt -77.68 130.42 36.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 87.4 p -73.75 166.28 23.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -55.76 -31.87 62.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -58.88 -39.2 80.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.86 -45.21 59.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -66.02 -34.68 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -52.54 -45.94 66.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.56 -57.59 4.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.77 HD12 ' CD2' ' A' ' 209' ' ' LEU . 1.2 tp -52.57 -45.62 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.76 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.7 m -71.62 -31.86 67.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.938 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.46 -18.31 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.1 m-85 -146.5 -91.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.908 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.88 119.33 3.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.01 28.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.036 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 123.79 8.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 0.0 111.039 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 178.181 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.7 p -131.34 138.63 49.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.6 OUTLIER -55.25 169.79 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 175.021 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.46 1.768 . . . . 0.0 111.046 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.9 -9.01 5.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 245' ' ' LEU . 65.2 mt 66.44 104.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.378 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.749 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -74.97 130.53 13.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 178.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.3 pttt 177.65 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -62.78 153.92 31.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -88.97 -3.9 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.45 158.69 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 p -90.06 -31.67 17.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -74.68 92.81 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.612 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 130' ' ' LEU . 59.6 mt -96.01 149.54 21.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.06 151.08 42.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 172.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -139.76 171.77 13.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -162.41 148.52 12.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.4 116.34 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.269 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.16 -40.37 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -157.72 172.05 19.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -128.69 -171.2 2.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -111.77 144.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.346 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 68.32 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.098 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.22 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -98.83 157.2 34.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.507 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.0 167.28 27.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 170.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -62.55 -63.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.49 -34.25 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.46 -45.82 89.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.31 -52.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.98 -37.54 64.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.946 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.07 -42.21 62.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.391 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.45 -50.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -48.14 -28.05 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -88.62 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.84 -42.65 68.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.86 -50.98 67.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -60.48 -41.42 94.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -51.35 -31.92 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 -178.184 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.78 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 83.1 m95 -88.75 -34.46 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.99 -24.7 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 0.0 110.306 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -19.22 60.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 242' ' ' ILE . 5.6 m -131.5 16.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 -172.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 68.8 p -144.28 158.64 54.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.79 21.49 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 246' ' ' TYR . 70.4 mt -58.36 154.13 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -170.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.82 134.26 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.41 125.02 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 -172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.9 t -104.08 161.92 13.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 110.073 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -106.11 149.72 26.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.277 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 71.6 mt -136.44 144.43 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -109.26 -6.38 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.07 170.36 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -158.22 49.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -104.03 160.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.27 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.48 158.21 44.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -62.17 -37.66 86.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.12 86.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.21 89.2 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.51 143.39 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -152.42 153.29 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.069 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.37 147.93 33.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.18 144.14 19.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.8 156.01 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 169.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 54.04 -170.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.54 137.71 29.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CD2' ' OD1' ' A' ' 153' ' ' ASP . 25.2 p-80 -134.68 47.97 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -174.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.4 67.56 2.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.626 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.5 p-10 -178.04 -173.08 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -171.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.37 3.59 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -118.41 91.91 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 175.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 178.71 6.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.617 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.105 -175.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 52.81 -157.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.617 HG12 ' CE1' ' A' ' 157' ' ' PHE . 58.3 t -36.98 116.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.72 -41.34 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.381 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.01 143.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.442 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 1.7 p-80 -134.35 165.85 24.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.67 171.17 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.57 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 54.7 m-85 -143.33 164.24 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -173.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -52.37 159.8 1.49 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.239 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.407 ' HA ' ' CA ' ' A' ' 176' ' ' GLY . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -86.72 146.44 26.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 170' ' ' PRO . . . 94.24 -32.99 5.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 148.61 39.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.772 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -114.05 130.61 56.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -110.25 121.06 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.622 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.511 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 44.8 m-85 -103.65 168.86 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.36 132.7 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 -18.47 17.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 176.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.35 49.19 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.82 145.87 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -139.16 158.0 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.602 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 49.5 p -141.85 171.81 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.471 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -111.29 14.53 21.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -179.31 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.9 p -82.8 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.8 t -114.22 -16.58 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 110.432 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.38 -146.14 5.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 194' ' ' ASN . 96.0 m -88.45 74.69 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 167.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 193' ' ' THR . 1.4 t-20 -34.81 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 199' ' ' ALA . 52.0 tp -72.68 -50.3 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -53.36 -48.0 68.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -177.506 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -34.96 77.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -177.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 194' ' ' ASN . 49.1 t -76.23 -32.13 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -59.48 -39.18 82.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.722 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -56.3 -55.37 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -46.44 -55.48 7.37 Favored 'General case' 0 N--CA 1.513 2.709 0 O-C-N 121.119 -0.988 . . . . 0.0 110.874 174.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.772 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.1 mm-40 -50.07 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.403 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -48.73 -41.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -176.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.11 -49.5 30.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.6 m-70 -62.63 -37.96 88.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 0.729 . . . . 0.0 109.598 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.2 t -67.42 -33.44 75.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.9 mt -77.36 -36.75 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.63 -9.81 4.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 32.1 m-85 -122.52 170.5 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 210' ' ' PHE . 49.1 m170 -42.58 130.74 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.538 -168.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 88.2 p -87.64 176.62 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.08 148.85 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 61.9 p -101.23 -22.49 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.19 -12.2 58.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.67 159.89 32.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -83.78 -21.3 32.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 178.606 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.96 -21.32 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.507 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.7 t80 -54.43 133.06 62.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.06 62.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 133.87 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -53.87 151.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -156.9 123.76 5.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.6 t -116.18 175.59 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 227' ' ' THR . 20.6 tp -155.83 139.65 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 227' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 226' ' ' LEU . 71.1 p -34.69 -63.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.401 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.3 122.92 45.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -71.91 -18.09 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -174.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -6.32 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 229' ' ' LEU . 66.9 mtt-85 -106.41 -6.03 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -62.43 142.76 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -177.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -158.68 147.52 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.246 176.494 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.78 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 18.5 mt -67.44 122.41 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.4 p -61.86 171.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -31.8 69.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -56.99 -47.3 81.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.69 -50.45 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.678 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.9 mp -64.14 -37.42 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.27 -44.97 68.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.74 -53.14 4.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.49 -45.13 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 -174.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -26.57 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.8 m -72.73 -28.57 62.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.971 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 90' ' ' PRO . 8.5 mt -81.7 -17.7 47.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 130' ' ' LEU . 45.2 m-85 -143.12 -87.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 111.043 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.97 110.86 3.1 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 171.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 110.966 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.86 34.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.089 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -140.9 135.24 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.798 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -55.39 172.07 0.3 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 110.969 173.551 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 171.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.74 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 mt 67.04 98.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.264 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.17 16.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.978 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE3' HD23 ' A' ' 245' ' ' LEU . 15.4 ptpt 180.0 121.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.402 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 92.0 m95 -58.13 143.11 45.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.005 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -88.07 0.37 56.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.19 142.72 50.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -84.89 -33.76 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -74.24 88.93 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.573 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.96 156.43 16.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.83 152.28 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 174.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -146.05 170.94 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -165.44 143.5 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -101.41 115.36 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 174.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.02 -41.29 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -152.62 171.27 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -124.58 -178.49 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.19 143.19 27.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.974 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -48.86 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.6 157.43 33.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.95 164.91 32.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 110.958 171.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -60.57 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.16 -36.12 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.69 -46.23 86.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.356 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.47 -54.46 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.526 ' OD1' HD13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -51.14 -32.97 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.5 t -58.94 -45.3 90.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.83 -37.97 64.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 35.4 t -74.96 -56.43 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.48 -30.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 22.1 mttm -89.7 -48.9 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -175.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.6 -42.59 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 59.3 mt -60.43 -55.13 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.37 -34.93 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.709 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.72 -33.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.792 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 87.6 m95 -91.84 -31.5 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 108.079 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.43 -24.32 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.72 -19.3 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.579 HG23 HG21 ' A' ' 242' ' ' ILE . 10.5 m -129.57 17.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.3 p -144.65 159.78 49.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 170.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.57 20.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 174.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 77.1 mt -63.8 157.41 24.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -169.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 p -134.32 161.84 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -134.34 136.48 43.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -124.55 155.2 39.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.956 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.84 143.09 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.314 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.94 105.85 8.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -48.22 -31.27 5.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 111.069 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.31 148.98 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 172.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.02 -162.63 28.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.61 48.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.0 148.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -62.81 -51.55 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mt -101.71 92.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 11.9 mtp -92.66 86.75 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.99 137.1 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m -146.54 161.81 39.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.391 1.057 . . . . 0.0 109.967 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -119.25 149.72 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.75 144.08 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.16 166.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 43.97 -164.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -53.67 121.65 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -119.82 48.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.633 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.6 61.79 6.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.562 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.4 OUTLIER -174.53 177.24 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 0.716 . . . . 0.0 109.309 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.3 t80 -83.22 -4.32 58.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 -170.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.42 89.16 20.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 177.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.3 4.86 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 110.959 173.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.36 -154.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.474 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 157' ' ' PHE . 76.6 t -38.05 121.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.38 -39.74 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.68 143.29 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -130.11 164.67 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.599 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.59 169.28 24.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -173.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -144.8 144.18 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -48.29 171.51 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.562 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.2 m-20 -85.66 151.85 23.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.77 -37.56 3.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -68.7 158.64 33.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.342 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.66 124.36 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -100.85 123.1 44.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.568 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 202' ' ' GLU . 16.7 m-85 -102.69 170.46 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -96.65 132.32 42.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -24.57 14.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.8 50.22 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 186' ' ' TRP . 18.2 tp10 -162.35 143.62 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.97 154.18 42.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 184' ' ' GLU . 94.5 m95 -141.9 155.81 45.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.611 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.8 p -140.08 168.74 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.409 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -111.32 29.24 7.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.375 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.61 176.18 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.3 p -74.56 71.72 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.396 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 37.7 p -133.1 -54.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.42 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.611 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -110.58 -134.68 6.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.4 m -79.38 77.05 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -41.85 105.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.76 -55.98 27.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.457 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -47.3 -48.44 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -177.583 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 1.006 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.72 -38.16 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -178.802 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.78 -32.95 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -67.03 -45.39 77.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.988 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.83 -24.25 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.08 -58.72 3.12 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 121.079 -1.013 . . . . 0.0 110.898 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.15 -49.44 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 -179.536 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.42 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.4 OUTLIER -52.78 -38.11 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.13 71.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.7 m-70 -60.45 -38.85 85.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.741 . . . . 0.0 109.612 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 70.1 m -71.9 -30.92 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.87 -95.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -159.42 37.06 0.48 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.445 1.091 . . . . 0.0 110.949 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.02 178.11 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.549 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 13.5 m-85 -154.29 -63.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.957 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.418 ' ND1' ' O ' ' A' ' 210' ' ' PHE . 5.5 m-70 -151.25 131.04 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 23.3 m -96.33 172.38 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.06 -37.51 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.25 147.84 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.4 t -95.55 -21.95 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.34 -8.26 59.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.86 160.37 31.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.006 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -87.42 -13.46 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 175.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.452 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -83.66 -6.61 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 7.1 t80 -66.02 148.12 98.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.0 Cg_endo -75.03 1.64 7.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.43 1.753 . . . . 0.0 110.966 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.68 139.72 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -58.76 154.96 13.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 170.31 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.546 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.3 t -154.73 172.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.52 151.21 29.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 48.3 m -47.29 -51.93 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.27 122.6 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.99 -19.12 62.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -177.549 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.419 ' N ' HD23 ' A' ' 229' ' ' LEU . 17.2 p -61.89 -9.2 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.41 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -113.1 -6.88 13.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.68 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.6 t80 -52.75 153.0 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.2 156.05 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.792 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 26.5 mt -77.66 137.28 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.5 m -69.58 155.23 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -34.02 58.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -40.19 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.9 -50.39 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.71 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -58.12 -38.61 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.08 -44.72 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.384 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.88 -50.96 6.1 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.71 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.96 -21.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.256 -175.178 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -87.27 -44.31 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.0 p -52.51 -33.89 47.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.549 HD23 ' HE3' ' A' ' 91' ' ' LYS . 1.3 mt -83.68 -31.23 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 36.2 m-85 -133.7 -94.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.99 119.38 3.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.09 31.93 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.217 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.7 p -139.85 135.32 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.458 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.4 OUTLIER -59.66 170.8 0.97 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 175.15 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.19 -7.01 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.405 HG23 HD23 ' A' ' 245' ' ' LEU . 67.1 mt 66.58 106.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.798 . . . . 0.0 109.265 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.618 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.92 130.94 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 pttp 177.61 123.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -61.46 159.25 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -89.86 -4.11 57.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.216 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -133.89 160.2 38.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 p -96.23 -33.42 12.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.416 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 76.22 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.671 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.43 157.44 28.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 150.02 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -143.09 172.07 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -165.11 144.75 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.95 119.77 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -79.78 -39.8 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -162.4 173.43 14.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 -172.17 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 110.987 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.91 143.36 28.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.93 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.26 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 108' ' ' LEU . 17.8 mt -97.52 156.87 35.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.97 163.24 35.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 110.963 170.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.1 -59.03 5.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.86 -36.74 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.16 -45.96 89.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -176.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.51 -52.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.242 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.64 -34.65 59.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.2 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.49 -51.51 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -43.82 -35.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 13.6 mttp -82.84 -52.23 6.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -176.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.88 -42.83 69.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.95 -54.63 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.3 69.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -172.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.73 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -56.94 -32.47 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.0 m95 -87.93 -31.95 19.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.91 -25.96 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.35 -19.96 55.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.193 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.606 HG23 HG21 ' A' ' 242' ' ' ILE . 6.0 m -131.23 16.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.7 p -144.32 160.1 49.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 171.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.42 20.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 246' ' ' TYR . 81.5 mt -58.38 153.94 14.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -171.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -137.36 134.5 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.41 136.95 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.5 t -125.59 160.96 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.02 145.9 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.4 mt -126.68 139.27 53.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -98.01 -3.73 37.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.55 167.07 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.88 -168.46 54.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.41 1.068 . . . . 0.0 110.996 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.01 112.42 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 110.305 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.99 160.77 27.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.9 -35.48 80.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.21 84.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.08 88.58 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.53 142.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -151.73 164.41 37.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.9 m-85 -121.69 143.72 49.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 175.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.2 143.54 12.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.8 170.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 41.97 -160.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.15 141.68 58.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 27.5 p-80 -153.78 36.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -164.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 126.98 -90.98 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 2.4 t0 -71.47 -165.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.01 75.21 2.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.588 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.64 71.9 4.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.559 1.82 . . . . 0.0 111.014 -170.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.51 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 171.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.57 -156.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 0.815 . . . . 0.0 109.311 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.51 HG12 ' CE1' ' A' ' 157' ' ' PHE . 2.6 t -41.12 115.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.83 -40.22 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -167.12 142.52 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -130.55 160.27 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.19 166.44 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -119.35 160.24 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.941 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -66.02 177.31 0.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 169.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.7 m120 -88.26 169.32 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.02 -38.0 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 156.62 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.43 121.43 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 4.2 m170 -101.63 123.98 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.56 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 15.6 m-85 -101.89 162.8 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.9 135.33 35.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -23.2 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.399 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.78 49.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -161.51 150.98 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 9.1 tp-100 -76.05 155.06 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.7 m95 -143.86 154.55 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.652 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.0 p -138.86 172.6 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -104.02 -17.64 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.25 -177.07 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 229' ' ' LEU . 1.6 p -71.66 78.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.4 p -137.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.376 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.652 ' N ' HG21 ' A' ' 187' ' ' THR . . . -122.11 -132.97 4.19 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.7 m -80.94 76.21 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 0.802 . . . . 0.0 110.359 171.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 193' ' ' THR . 55.9 t-20 -38.79 107.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.12 -56.42 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -172.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 3.5 t80 -49.75 -46.23 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -52.74 -38.95 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 82.4 t -79.21 -35.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.03 79.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 1.063 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.5 -49.67 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -49.61 -53.12 25.79 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.068 -1.02 . . . . 0.0 110.762 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 7.9 mm-40 -52.93 -61.73 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.8 -39.84 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.2 -40.86 37.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 59.0 m-70 -66.96 -40.84 87.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 0.808 . . . . 0.0 109.605 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 21.5 m -64.26 -28.72 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.8 mt -81.34 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -163.43 32.66 0.28 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.0 111.011 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.45 ' HG ' HD12 ' A' ' 242' ' ' ILE . 12.5 mt -122.52 169.65 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.278 174.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.557 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 28.2 m-85 -149.37 -88.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.15 106.11 8.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 0.0 109.666 -172.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 18.1 m -74.81 171.92 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.042 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.35 18.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -60.57 147.96 39.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.0 t -97.91 -17.42 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.367 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.88 -4.85 57.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.17 173.42 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.063 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -97.49 -26.16 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.579 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 69.8 mmm -75.96 -12.11 60.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.502 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 12.5 t80 -55.93 144.34 58.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 176.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.502 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -75.05 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -169.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 137.89 32.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -53.88 157.67 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.27 167.24 28.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.652 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -157.57 179.02 9.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.425 ' O ' HG21 ' A' ' 190' ' ' THR . 13.8 tp -155.28 151.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 14.9 t -60.88 -26.23 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 106.62 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.2 -23.24 65.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -176.277 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.408 ' N ' HD13 ' A' ' 229' ' ' LEU . 12.9 t -66.23 -9.31 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -105.76 -5.22 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -46.97 155.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -178.614 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -157.76 157.09 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.73 HD11 ' CG1' ' A' ' 123' ' ' VAL . 71.0 mt -77.48 126.63 31.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 170.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 47.3 t -65.17 166.68 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -64.21 -26.83 68.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.7 -37.74 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.04 -48.96 21.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.692 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -64.16 -42.24 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -49.36 -47.89 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.72 -53.78 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.692 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -54.58 -28.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 0.717 . . . . 0.0 109.305 -173.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -83.8 -35.28 24.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 25.1 p -62.73 -26.79 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -86.41 -20.67 27.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 130' ' ' LEU . 31.1 m-85 -147.93 -88.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 111.003 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.09 118.37 2.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 166.98 27.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.94 30.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.971 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 179.067 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -127.38 133.77 49.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.85 173.29 1.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 175.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.816 . . . . 0.0 111.007 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.18 4.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -173.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 mt 65.72 102.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.99 11.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.345 1.708 . . . . 0.0 110.947 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 174.41 123.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.76 155.28 23.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -88.65 -3.97 58.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -125.89 150.53 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 p -83.65 -38.33 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 110.388 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 108.98 17.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.616 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.17 166.2 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.384 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 151.12 50.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.09 172.14 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -162.41 145.2 11.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.68 116.6 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.06 -40.05 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -159.25 171.57 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -124.61 -171.6 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.86 143.31 28.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -176.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.97 65.6 6.03 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.002 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -160.34 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.78 159.25 29.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.11 168.09 25.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 171.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -59.0 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -38.21 27.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.13 88.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.19 -51.43 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -33.54 61.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -61.84 -42.42 99.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.979 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.09 -39.3 71.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.39 1.056 . . . . 0.0 109.279 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.69 -51.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -45.68 -30.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 5.9 mtpm? -84.05 -59.41 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.4 -51.81 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -69.33 -24.53 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -172.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.599 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -65.99 -34.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.709 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.1 m95 -84.83 -31.93 23.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 108.044 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.8 -24.51 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -19.19 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 13.6 m -127.99 15.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -172.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.7 p -147.64 161.63 34.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.473 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 246' ' ' TYR . 82.3 mt -64.31 155.32 32.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -170.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.8 p -131.76 167.33 19.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 171.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -139.08 152.56 47.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.0 m -145.45 152.33 39.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -98.99 151.85 20.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 73.8 mt -129.7 148.27 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -105.59 -5.23 20.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -154.99 171.06 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.99 -158.46 53.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.58 140.38 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.282 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -108.74 163.55 13.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.9 -40.36 97.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.17 88.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.96 88.71 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.67 143.88 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -152.72 163.42 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.076 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -117.83 151.94 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.045 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -160.12 166.37 29.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.2 m -134.6 -171.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 170.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.2 ptt85 37.42 -158.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.264 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.2 tm-20 -68.19 100.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 172.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.461 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 38.2 p-80 -102.26 43.31 1.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 76.18 41.58 26.19 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.5 OUTLIER -166.36 177.41 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.0 t80 -89.81 -2.42 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -167.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -112.24 96.86 37.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 176.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.6 m-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.3 -163.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 0.799 . . . . 0.0 109.291 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.1 t -34.82 116.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 171.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.22 -37.29 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 175.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -174.99 141.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.1 OUTLIER -124.77 164.45 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.61 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.54 171.73 19.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -142.14 158.66 43.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -176.238 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.879 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.67 -179.39 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.879 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.534 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.5 m-20 -85.6 155.98 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.53 -37.68 2.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.77 164.11 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.314 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -137.68 116.21 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.616 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 25.3 m170 -90.31 124.42 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.558 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.86 150.08 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -82.87 111.2 18.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 109.322 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -25.25 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.72 51.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.84 152.29 11.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.228 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 26.8 tt0 -74.59 155.89 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.328 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.403 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 92.6 m95 -141.85 155.93 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.024 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.602 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.8 p -139.74 156.54 46.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 175.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -92.21 -20.92 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -115.64 -156.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.6 p -104.28 66.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.1 t -134.21 15.28 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -174.04 -139.17 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.4 m -85.95 90.24 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.43 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.02 109.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.58 -61.1 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.44 -50.25 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.69 -33.61 68.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 0.0 109.252 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.21 -33.47 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 196' ' ' PHE . . . -57.47 -45.89 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 1.04 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.19 -39.21 89.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.327 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.9 -54.72 41.19 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 121.212 -0.93 . . . . 0.0 110.942 172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -59.39 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 175.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.34 -44.93 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -47.09 27.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.1 m-70 -65.39 -41.43 93.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.767 . . . . 0.0 109.622 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.5 m -60.91 -36.72 80.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.67 -72.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.66 48.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 209' ' ' LEU . 13.4 mt -124.25 165.41 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 0.815 . . . . 0.0 109.281 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 211' ' ' HIS . 57.2 m-85 -155.71 164.73 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.972 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 210' ' ' PHE . 41.0 m170 -42.34 129.7 3.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.563 -169.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 m -100.4 170.36 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.47 -34.59 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.48 146.04 54.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -95.65 -14.62 23.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.14 -11.38 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.637 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.04 147.71 26.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.04 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -81.06 -8.57 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 178.439 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.534 ' N ' HD23 ' A' ' 218' ' ' LEU . 8.1 tpp -82.48 -18.44 41.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 54.6 t80 -51.67 140.84 26.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.931 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.09 52.65 3.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 131.44 2.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 172.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -52.05 152.83 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -145.52 167.54 22.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 0.0 109.535 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.5 m -159.96 174.84 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.972 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.1 tp -147.99 149.96 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 9.7 t -52.3 -33.19 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.83 97.86 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.797 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -66.78 -24.63 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -173.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.403 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -63.24 -21.63 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -177.391 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -100.87 -4.48 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.575 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.1 t80 -42.42 154.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.942 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 157.59 34.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 176.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.709 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.8 mt -81.2 137.31 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.637 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 89.7 p -69.93 164.88 22.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -30.35 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -177.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.94 -43.39 86.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.43 -43.55 69.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.614 1.196 . . . . 0.0 109.345 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -176.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -51.6 -44.36 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.94 -51.52 5.8 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.52 -26.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 -174.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.28 -40.13 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 m -55.54 -28.86 57.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 110.066 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.73 -32.73 23.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.459 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.0 m-85 -135.14 -91.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.96 119.74 4.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.89 25.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.98 32.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.167 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.2 p -117.47 135.76 53.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.84 171.44 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 170.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.56 22.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp 57.25 100.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.6 Cg_endo -74.9 129.87 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.06 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 pttp 179.0 123.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -74.9 151.58 38.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.182 . . . . 0.0 108.074 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.3 -3.99 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -174.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -135.32 150.58 50.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 p -87.11 -32.22 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -74.25 74.52 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.5 mt -70.96 158.99 35.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.23 150.1 51.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 110.41 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -144.4 174.96 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -162.53 147.71 12.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -105.98 116.95 50.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.27 -40.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -157.31 171.19 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -124.33 -170.14 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -112.81 143.25 28.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.438 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.98 66.79 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 111.027 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -161.67 -48.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.2 mt -102.64 159.42 29.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.02 164.73 32.74 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.527 1.804 . . . . 0.0 111.056 171.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -60.52 -61.93 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -35.03 61.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 -174.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.24 -45.77 86.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.354 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.16 -54.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.23 -37.0 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.55 -41.6 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.35 -39.14 72.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 5.1 t -74.85 -55.89 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -46.3 -28.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.355 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 115' ' ' SER . 29.3 mtpt -85.94 -52.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.69 -41.52 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 41.9 mt -62.16 -52.39 64.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -59.01 -36.58 75.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.2 t -56.75 -40.35 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.812 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.6 m95 -86.7 -30.76 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 107.962 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.52 -23.34 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.404 ' OE1' ' NH2' ' A' ' 233' ' ' ARG . 3.0 mt-10 -78.66 -17.68 55.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.558 HG23 HG21 ' A' ' 242' ' ' ILE . 14.4 m -127.88 18.81 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -171.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.3 p -148.79 161.53 32.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.402 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.08 20.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -57.94 155.54 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -171.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -137.26 133.9 35.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.98 154.88 19.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.0 m -152.07 152.39 32.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -100.4 153.85 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.4 mt -127.47 113.03 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -57.56 -24.64 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.99 165.43 36.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.06 -177.61 32.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.93 105.76 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 110.252 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.2 162.37 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.87 -39.56 94.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.9 mt -117.24 86.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.5 89.92 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.67 130.1 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.8 p -149.75 124.85 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.067 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.491 ' CE1' ' CD1' ' A' ' 180' ' ' PHE . 5.4 m-30 -86.27 155.36 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.94 142.34 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.435 HG23 ' HG2' ' A' ' 149' ' ' ARG . 1.3 m -98.27 167.73 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 172.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.435 ' HG2' HG23 ' A' ' 148' ' ' VAL . 2.1 ptm180 41.76 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.222 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -52.49 137.46 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.757 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 41.7 p-80 -151.58 36.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.543 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.558 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 94.77 -175.64 34.21 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 1.2 t70 42.81 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.384 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.17 69.18 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.757 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -150.05 69.67 9.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 174.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.556 1.819 . . . . 0.0 111.05 -172.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 172.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 44.22 -148.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -176.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.54 HG12 ' CE1' ' A' ' 157' ' ' PHE . 55.9 t -35.05 117.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 172.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.94 -38.81 11.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 174.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.23 141.87 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -131.62 169.28 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.632 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.96 151.48 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -173.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.15 147.37 37.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.72 177.22 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.829 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.19 164.16 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.48 -10.46 50.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.7 174.22 11.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.86 121.76 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -112.63 124.77 53.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.529 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.491 ' CD1' ' CE1' ' A' ' 146' ' ' PHE . 17.6 m-85 -102.5 172.9 6.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 171.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.74 108.15 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.51 -25.64 57.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.295 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -86.29 52.21 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -162.44 147.85 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.48 154.28 41.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.278 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -144.18 156.15 44.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.6 p -140.78 178.26 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -116.22 21.15 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.8 179.64 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.9 p -77.2 67.44 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 39.1 p -127.46 -46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.58 ' N ' HG21 ' A' ' 187' ' ' THR . . . -116.2 -131.01 4.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 29.8 m -90.06 95.94 10.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 170.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -52.91 108.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.02 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.23 -49.14 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -177.618 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.59 -36.22 75.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.06 -28.27 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -71.4 -38.62 71.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.243 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.834 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.63 -22.75 66.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.13 -59.3 2.8 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 121.097 -1.002 . . . . 0.0 110.825 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -53.47 -52.09 60.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.459 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -52.35 -38.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.64 -37.93 69.94 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 65.7 m-70 -66.93 -36.64 82.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.585 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.6 t -70.32 -35.1 73.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 242' ' ' ILE . 60.2 mt -73.06 -54.68 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 208' ' ' GLY . . . . . 0.698 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 141.18 55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 110.914 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 1.055 HD21 HD12 ' A' ' 242' ' ' ILE . 0.0 OUTLIER -150.97 149.99 30.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 166.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 211' ' ' HIS . 39.1 m-85 -123.86 -176.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 210' ' ' PHE . 65.1 m170 -40.66 138.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.618 -171.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.9 m -108.31 177.48 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 109.987 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.61 -47.99 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -54.8 148.49 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.212 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 11.6 t -94.34 -29.83 14.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.02 -17.72 62.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.14 137.32 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.067 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -72.91 -13.69 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.327 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.0 tpp -83.51 -7.18 59.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 37.4 t80 -63.93 137.56 97.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -75.0 55.94 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -167.05 128.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -75.53 144.63 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -169.83 122.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 75.6 m -93.42 134.67 35.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.19 148.84 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.2 t -48.3 -36.71 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -137.13 106.22 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.33 -24.32 67.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -175.308 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.1 t -64.31 -14.61 57.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -103.33 -5.52 22.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 0.2 OUTLIER -45.27 147.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -177.764 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.404 ' NH2' ' OE1' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -159.71 146.16 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 176.105 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.748 HD11 ' CG1' ' A' ' 123' ' ' VAL . 26.3 mt -68.77 139.01 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 3.5 m -77.73 158.62 29.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 110.059 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -31.46 44.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.338 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.12 -42.78 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.386 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.82 -48.74 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.679 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.92 -36.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -175.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -44.62 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.83 -51.11 5.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 1.055 HD12 HD21 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -59.07 -23.23 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -174.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -91.94 -34.61 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.2 m -57.06 -30.7 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 90' ' ' PRO . 35.1 mt -88.02 -22.27 24.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -142.43 -93.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 111.105 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.21 120.29 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.15 31.87 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 179.182 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -125.53 134.24 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -64.47 171.69 2.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 175.587 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.93 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.85 -11.78 4.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.432 HG22 ' HG2' ' A' ' 91' ' ' LYS . 34.1 mt 65.76 102.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.412 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.94 127.82 11.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.071 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.432 ' HG2' HG22 ' A' ' 89' ' ' ILE . 6.8 ptpt 172.47 123.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.424 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 98.4 m95 -69.01 150.56 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 107.962 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.74 -4.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.7 154.11 38.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.8 p -94.62 -32.3 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -74.4 80.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.04 161.63 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 151.4 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -144.36 175.17 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.053 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -162.77 146.24 11.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.1 114.94 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.417 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.1 t -78.42 -39.83 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.68 173.28 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.96 -176.64 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -175.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 145.25 30.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 63.04 6.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.84 -48.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.07 157.57 33.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.482 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.06 165.16 31.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 169.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -60.72 -62.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.53 -34.11 57.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -174.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.6 -46.17 83.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 109.243 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.59 -53.73 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -37.95 34.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -54.4 -43.49 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.84 66.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -79.09 -51.24 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.75 -25.53 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' SER . 40.9 mttm -91.55 -52.45 4.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.28 -47.77 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.269 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.66 -52.77 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.87 -27.43 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -63.8 -35.32 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.832 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.1 m95 -87.02 -28.43 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.078 -175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -51.95 -26.07 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.33 -20.14 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.287 -171.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 242' ' ' ILE . 12.7 m -126.14 14.05 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -171.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' VAL . 14.1 p -149.8 160.31 34.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 168.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.0 mt -57.79 153.88 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -171.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -138.32 134.22 33.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.35 129.86 55.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -172.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.9 t -111.99 162.86 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 142.31 34.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.8 112.88 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -70.8 -14.13 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -161.84 166.27 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 99.02 -178.53 30.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -97.53 99.88 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.367 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.38 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.73 -38.92 92.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.94 89.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 3.6 mtt -90.53 88.79 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.96 137.15 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.7 p -148.93 169.68 20.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 110.037 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.3 m-85 -124.61 152.32 43.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 176.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.85 142.75 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.3 m -99.9 164.11 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 173.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' VAL . 4.9 ptt85 42.27 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.16 129.89 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.65 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 46.7 p-80 -139.06 35.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.59 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 95.92 -173.5 30.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 0.8 OUTLIER 43.62 -157.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 175.526 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.63 71.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.65 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.88 72.6 5.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 176.089 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.65 -153.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 178.171 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.634 HG12 ' CE1' ' A' ' 157' ' ' PHE . 77.9 t -37.46 122.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.84 -39.51 8.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.483 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -164.44 142.53 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -132.33 167.04 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.66 153.62 28.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -172.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -112.91 153.31 28.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.836 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -57.49 178.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 170.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.836 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -87.65 145.11 26.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.49 27.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.581 1.175 . . . . 0.0 110.999 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.99 159.83 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.03 122.15 27.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.288 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -106.26 123.6 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 25.4 m-85 -102.91 170.85 7.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 111.037 174.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -93.29 132.51 37.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.56 -21.89 15.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -88.14 51.41 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.56 152.65 16.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -72.7 155.11 40.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -144.95 156.75 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 107.945 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.592 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.3 p -140.66 174.68 10.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -115.51 24.33 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -169.08 -176.39 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.3 p -82.24 90.42 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.5 t -159.52 -44.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.403 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.592 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -112.54 -132.64 5.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 67.9 m -88.61 83.42 6.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.411 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -44.57 107.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.215 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.36 -54.34 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -172.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 229' ' ' LEU . 0.4 OUTLIER -50.51 -46.68 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -176.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.982 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.39 -38.43 63.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 45.0 t -79.4 -30.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.8 -45.65 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.995 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.77 -23.53 67.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -76.19 -59.16 2.88 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.123 -0.986 . . . . 0.0 110.789 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.0 OUTLIER -53.9 -50.79 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.3 OUTLIER -54.37 -39.83 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -178.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.97 -43.88 55.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 72.1 m-70 -63.15 -37.04 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.604 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.7 t -68.45 -43.31 77.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.107 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.47 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.92 50.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.929 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.449 HD12 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.12 165.32 19.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.506 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.7 m-85 -157.05 160.42 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 210' ' ' PHE . 57.1 m170 -35.82 118.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.562 -169.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.9 m -77.34 172.46 13.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.37 27.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -61.99 149.07 41.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -9.73 19.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.72 -4.86 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.74 152.9 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.995 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -76.48 -12.4 60.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -13.0 59.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.963 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.4 t80 -66.82 139.85 95.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.95 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.8 OUTLIER -166.72 132.78 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 176.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.66 149.42 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -135.95 172.51 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 51.0 m -163.53 168.58 19.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.2 tp -154.59 155.49 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -37.15 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 110.39 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 129.73 13.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 0.0 109.281 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -81.59 -19.43 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -175.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.425 ' N ' HD23 ' A' ' 229' ' ' LEU . 5.9 t -61.49 -9.29 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -115.78 -6.09 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.722 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.2 t80 -48.51 154.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -156.72 156.45 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.832 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 5.1 mt -82.82 136.58 34.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.207 175.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.8 m -61.93 159.03 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.26 -27.46 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -57.7 -41.72 82.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.41 -45.0 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.637 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -66.81 -37.73 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -44.78 63.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.7 -56.2 3.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.901 -175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.3 OUTLIER -54.61 -46.21 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -175.304 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -26.11 60.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 10.7 t -71.72 -33.1 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 90' ' ' PRO . 7.0 mt -78.33 -16.7 57.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.8 m-85 -143.34 -89.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.11 115.57 3.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.567 1.825 . . . . 0.0 111.022 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.134 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.6 p -130.76 -109.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.98 168.42 0.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 111.059 -178.375 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.95 85.28 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.407 1.74 . . . . 0.0 111.014 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.26 -6.49 6.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.8 mt 67.01 116.51 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.599 0.823 . . . . 0.0 109.264 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.619 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.99 128.13 11.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 174.8 123.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.33 159.2 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 107.968 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.1 -3.9 58.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -134.1 156.74 47.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 p -90.81 -33.99 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.05 83.01 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.4 mt -83.84 158.98 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.19 152.5 44.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -145.31 169.52 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -167.09 140.76 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.55 113.7 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 174.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.68 -39.97 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.05 169.57 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -121.76 -179.26 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -107.43 141.88 23.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.92 69.02 5.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -163.56 -48.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 108' ' ' LEU . 18.0 mt -99.37 157.53 33.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.7 Cg_endo -74.89 163.91 34.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.71 -57.86 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -173.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 115' ' ' SER . 4.5 t70 -51.23 -39.02 55.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.5 -46.11 91.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -175.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.13 -53.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -52.56 -33.69 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -64.91 -43.44 92.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.013 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.47 -33.14 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.37 -51.81 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.67 -28.59 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 115' ' ' SER . 26.5 mttp -91.95 -47.66 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -175.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -57.4 -49.19 77.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.88 -53.86 49.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -61.38 -33.67 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.355 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.98 -32.38 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -178.025 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.7 m95 -90.57 -31.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.99 -24.78 17.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.02 -18.57 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 242' ' ' ILE . 6.8 m -132.79 17.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -173.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.0 p -145.71 159.05 48.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 171.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.78 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.8 mt -57.47 152.22 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 -171.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.79 134.98 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 173.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.9 134.54 51.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 110.976 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 m -123.25 144.78 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.09 153.55 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.3 mt -132.82 146.75 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -98.64 -9.09 25.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -155.5 174.65 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.22 52.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.34 104.76 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.268 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.37 158.35 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.72 -36.95 85.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.3 mt -117.14 85.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.85 91.15 7.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.3 149.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.9 t -155.5 161.44 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -117.88 134.27 55.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -147.65 167.02 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -174.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.58 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -132.21 -177.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 165.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 148' ' ' VAL . 9.5 ptm180 36.52 -157.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 177.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.455 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 0.8 OUTLIER -65.74 102.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 176.043 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 22.3 p-80 -105.14 -5.97 20.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.652 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.12 -87.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.488 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.28 -166.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.355 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -99.02 77.07 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.61 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.77 64.16 2.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -176.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.74 22.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -169.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 10.2 m-30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 44.27 -148.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 0.812 . . . . 0.0 109.314 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.3 t -33.62 109.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 173.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.0 -34.9 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.62 143.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.1 OUTLIER -118.93 167.2 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 176.566 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.83 172.14 18.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -127.64 167.32 16.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.76 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.3 173.95 2.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.76 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.062 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.13 165.13 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.9 -38.14 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 162.52 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.05 112.02 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 6.1 m170 -97.15 123.97 41.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -97.41 151.6 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 9.6 t70 -78.14 103.29 7.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.62 -24.78 56.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.12 50.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -168.71 147.55 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 52.9 tp60 -71.2 153.68 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.503 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 94.8 m95 -135.46 157.96 45.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.07 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.639 HG21 ' HA3' ' A' ' 192' ' ' GLY . 12.7 p -139.92 172.72 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -115.98 27.84 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -171.38 179.38 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.3 p -79.54 86.76 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.38 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.8 t -155.99 -42.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.376 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.639 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.97 -139.06 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 173.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 69.1 m -81.09 80.02 7.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.449 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.5 108.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.06 -55.69 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 -172.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.432 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -50.01 -42.59 49.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -174.546 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -56.74 -38.24 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.618 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.64 -37.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.44 77.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.894 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -64.21 -30.0 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.45 -53.03 9.35 Favored 'General case' 0 N--CA 1.514 2.751 0 O-C-N 121.153 -0.967 . . . . 0.0 110.851 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -51.7 52.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.91 -40.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.25 37.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 73.2 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.576 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.7 m -63.65 -29.7 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.936 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.16 -98.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -158.35 33.16 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.524 HD12 ' CH2' ' A' ' 124' ' ' TRP . 15.4 mt -120.58 173.62 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.605 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 15.7 m-85 -152.89 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 6.6 m-70 -148.35 126.49 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -174.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 63.1 p -90.92 176.65 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.77 12.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.25 147.43 51.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' THR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 7.1 t -95.34 -15.84 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.419 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.14 -16.07 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -78.64 155.88 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -82.75 -13.58 56.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.491 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.9 tpt -81.92 -8.46 59.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.996 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.482 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 38.0 t80 -72.38 144.77 87.14 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.046 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 211' ' ' HIS . 18.5 Cg_endo -74.96 59.78 5.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -167.36 134.48 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -75.3 151.72 38.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.06 124.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 58.4 m -97.26 134.92 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 tp -86.34 155.09 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 12.0 t -54.99 -28.82 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.428 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' ASP . . . . . 0.424 ' OD2' ' NH1' ' A' ' 231' ' ' ARG . 0.0 OUTLIER -148.66 131.55 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 176.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -104.39 -19.18 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -175.149 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.426 ' N ' HD23 ' A' ' 229' ' ' LEU . 8.0 t -60.94 -11.49 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 231' ' ' ARG . . . . . 0.424 ' NH1' ' OD2' ' A' ' 228' ' ' ASP . 0.1 OUTLIER -121.54 -5.54 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.716 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -38.52 149.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -176.033 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -153.09 150.02 28.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.6 mt -71.69 139.58 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.474 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 43.6 m -69.31 156.94 37.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -33.7 54.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -52.39 -43.09 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.6 -44.48 57.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.6 -35.92 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -50.47 58.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -50.84 6.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.43 -28.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 -174.519 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -88.17 -35.33 17.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.1 t -57.94 -30.68 66.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -91.26 -15.91 28.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.91 -89.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.07 122.29 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.571 1.827 . . . . 0.0 110.976 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.212 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -133.95 134.96 43.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.2 OUTLIER -60.56 170.29 1.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 176.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 96.74 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 -8.77 6.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.421 1.075 . . . . 0.0 111.014 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 58.9 mt 67.13 106.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.723 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.95 129.72 12.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 pttp 176.97 124.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -67.94 155.56 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -86.08 -3.33 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' CD ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.45 150.25 50.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -178.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 p -87.57 -30.37 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.601 1.188 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -76.52 92.39 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.612 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' CD ' ' A' ' 94' ' ' LYS . 51.2 mt -92.28 147.47 22.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.71 149.38 49.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 117' ' ' VAL . 39.1 p90 -143.98 170.49 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.7 ttt-85 -165.51 138.84 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -99.62 115.99 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.34 -39.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 -170.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -141.12 167.22 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.72 -177.85 4.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.53 145.02 32.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -176.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 67.61 5.94 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.32 -47.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.52 158.56 31.55 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 168.7 24.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 168.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -61.87 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -170.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -28.27 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.496 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.99 -43.12 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.47 -55.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.96 -34.1 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.89 -43.97 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.48 -34.46 64.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 99' ' ' TYR . 26.8 t -80.28 -49.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.8 -29.67 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 7.3 mttp -92.86 -49.36 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -174.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.71 -47.12 74.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD22 ' CE1' ' A' ' 132' ' ' PHE . 89.1 mt -57.07 -53.94 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.87 74.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.71 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -53.37 -32.68 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.785 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.5 m95 -91.29 -31.52 16.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 108.032 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.57 -24.76 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.58 -18.88 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.556 HG23 HG21 ' A' ' 242' ' ' ILE . 11.2 m -129.52 16.5 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 -173.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 49.4 p -146.48 160.79 40.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -8.91 20.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.458 HD21 ' CE1' ' A' ' 246' ' ' TYR . 78.4 mt -57.11 155.94 7.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -131.06 159.11 38.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 121' ' ' LEU . 90.7 m-85 -136.8 142.3 42.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 111.019 -174.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.5 m -138.18 146.97 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.59 147.55 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.11 129.46 43.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -87.73 -10.3 51.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -159.73 170.85 20.63 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.16 174.9 49.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.67 101.09 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.97 164.0 27.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.51 -38.19 90.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.377 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 92.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.223 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 mtt -91.64 85.2 5.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.78 122.42 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 m -143.32 126.71 16.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.5 m-30 -84.57 164.16 18.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.973 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.7 143.47 5.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.4 m -101.92 152.5 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 53.33 -176.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.5 122.16 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -122.02 11.18 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 -171.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.6 64.43 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD2' ' CE1' ' A' ' 155' ' ' TYR . 19.0 t0 -174.81 -179.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -65.61 -19.29 65.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -114.58 96.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 136.13 19.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.012 172.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.41 -153.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -36.43 118.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 175.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -39.74 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.31 142.51 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.655 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -125.03 159.85 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.574 177.164 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.16 154.94 30.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -131.49 152.35 50.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 -168.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.706 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.28 172.54 0.74 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 173.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.519 1.8 . . . . 0.0 111.049 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.44 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.91 165.53 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.64 -36.58 3.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.69 168.77 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.84 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.655 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 19.8 m170 -112.69 137.13 51.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 0.0 109.615 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.507 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.0 m-85 -103.43 177.16 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 170.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -92.98 104.69 16.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.95 -23.11 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.34 49.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.25 151.28 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.44 154.28 38.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -143.04 154.79 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' HA3' ' A' ' 192' ' ' GLY . 17.1 p -137.88 170.63 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -110.09 18.01 20.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.87 176.48 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.1 p -73.95 74.16 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -135.98 -54.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.461 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -107.62 -131.91 6.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 176.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 77.3 m -85.12 82.53 8.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.417 169.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -43.66 107.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.77 -54.01 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 -173.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -50.74 -46.38 59.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 111.07 -176.535 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 218' ' ' LEU . 0.6 OUTLIER -55.77 -37.55 68.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.272 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 -31.48 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -69.6 -46.95 65.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.68 -23.03 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.264 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -75.79 -60.7 2.2 Favored 'General case' 0 N--CA 1.514 2.744 0 O-C-N 121.176 -0.953 . . . . 0.0 110.826 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.2 pp20? -53.39 -50.43 65.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.297 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.43 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -52.63 -39.15 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.488 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.65 -46.37 47.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.88 -39.43 93.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.804 . . . . 0.0 109.591 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 15.3 t -61.0 -39.58 90.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.76 -67.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.247 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 162.43 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.473 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.7 mt -119.53 170.11 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 211' ' ' HIS . 78.0 m-85 -158.36 162.41 37.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -38.95 118.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 212' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 4.6 m -74.76 -92.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.12 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.21 149.3 33.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.37 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.2 t -89.05 -19.29 25.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.41 -16.72 57.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.252 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -82.66 139.34 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.3 tpt -71.75 -13.92 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.1 t80 -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.99 61.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.36 132.77 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 178.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -69.54 145.4 52.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -168.06 123.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.581 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 39.4 m -105.8 167.07 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 23.9 tp -125.13 155.34 40.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.5 p -46.23 -45.05 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.7 122.45 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.373 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.7 -20.05 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -176.604 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 229' ' ' LEU . 11.5 t -61.75 -8.32 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -112.3 -6.47 14.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.387 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.669 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 4.5 t80 -54.6 153.13 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -157.96 157.48 33.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.785 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.0 mt -84.11 134.72 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 173.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 49.0 m -63.93 156.8 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -54.76 -28.2 46.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.44 -42.93 74.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -74.17 -46.52 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.693 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.36 -41.32 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -50.85 -45.98 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.21 -52.78 5.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -58.52 -26.26 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -174.292 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -87.31 -35.92 18.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.233 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 46.5 t -59.57 -26.11 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.4 mt -89.92 -19.49 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.458 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.5 m-85 -147.39 -90.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.74 118.51 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.97 28.1 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.05 31.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.161 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.0 p -134.41 135.29 42.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.32 170.92 0.84 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.39 -8.35 5.93 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HD23 ' A' ' 245' ' ' LEU . 67.6 mt 66.84 105.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.24 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.703 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.794 . . . . 0.0 111.013 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.4 pttt 177.53 123.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -64.58 151.26 45.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.27 -3.67 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.82 155.44 50.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.077 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -88.92 -30.4 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -74.09 84.17 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.566 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 130' ' ' LEU . 47.4 mt -84.65 150.11 25.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -177.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.13 148.12 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.373 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -142.45 168.07 20.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 111.065 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -167.58 133.6 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -93.55 117.94 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.25 -41.88 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -156.03 169.72 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.51 -171.85 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 111.03 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -115.52 142.95 29.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 -177.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.02 67.72 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -162.85 -47.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' A' ' 187' ' ' THR . 22.9 mt -103.43 159.72 28.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 165.54 31.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -64.12 -57.93 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.18 -35.69 62.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.12 -45.91 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.32 -53.35 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.98 -33.51 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.72 -33.14 54.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -43.15 -34.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 196' ' ' PHE . 11.0 mttp -90.39 -52.95 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.52 -42.99 67.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.06 -53.51 57.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.38 -35.69 74.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.583 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -30.6 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.749 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 96.2 m95 -93.08 -31.01 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 107.93 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.89 -23.68 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.2 -18.58 60.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.563 HG23 HG21 ' A' ' 242' ' ' ILE . 8.3 m -130.78 17.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -172.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.5 p -145.65 159.57 47.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.385 170.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.32 21.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 246' ' ' TYR . 82.2 mt -56.1 155.4 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -171.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.9 p -134.12 133.94 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.39 132.11 54.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -171.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -124.95 163.1 23.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -114.26 153.09 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -131.93 130.39 41.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -81.83 -9.07 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -152.09 173.22 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.31 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.14 -168.37 54.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -109.98 108.02 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.95 159.69 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.587 1.18 . . . . 0.0 109.364 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.68 -39.81 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -177.43 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.9 mt -115.94 83.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.19 86.2 6.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.27 148.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -155.38 157.15 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.946 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -114.93 129.37 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -141.66 171.61 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -174.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 149' ' ' ARG . 5.4 m -142.66 179.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.626 ' HG3' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 32.75 -144.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 175.118 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.8 94.57 0.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.648 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 35.4 p-80 -105.18 44.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.639 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 65.8 62.62 4.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 8.5 p-10 -172.37 -174.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -172.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.7 t80 -112.45 -4.51 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.055 . . . . 0.0 111.001 -176.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.62 86.68 15.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.4 Cg_endo -75.05 146.6 32.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.6 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 11.1 m-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 44.92 -149.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 162' ' ' ASN . 10.6 t -34.09 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -31.26 13.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 173.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -176.28 142.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.2 OUTLIER -117.53 163.85 15.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 178.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -160.26 168.94 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 163.55 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.54 177.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 173.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.08 0 O-C-N 124.568 1.825 . . . . 0.0 110.983 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.08 164.7 15.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.05 -37.36 2.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -74.3 148.81 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -121.83 115.07 21.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 41.7 m170 -92.89 121.99 34.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 29.8 m-85 -90.16 148.92 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 171.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.8 t0 -82.18 101.32 10.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -23.35 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -78.82 48.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -165.5 158.19 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 45.7 tt0 -74.18 157.04 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 82.2 m95 -146.83 156.41 43.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.038 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.576 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.3 p -139.74 175.83 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 172.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -109.42 18.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -163.4 -166.34 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 226' ' ' LEU . 19.9 p -89.09 63.16 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 -176.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.2 t -137.58 17.54 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.473 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.576 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -179.72 -144.48 5.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 36.8 m -81.55 80.8 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 0.723 . . . . 0.0 110.397 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -49.21 115.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.51 -52.25 41.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.79 ' CD1' HD11 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -51.56 -35.28 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 -176.072 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.1 OUTLIER -81.66 -31.06 32.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.236 -172.514 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.8 t -76.11 -33.68 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.27 84.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -53.35 -50.9 64.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -50.31 -58.71 5.04 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 121.136 -0.977 . . . . 0.0 110.872 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.466 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.4 mt-10 -48.18 -60.51 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.239 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.44 -43.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -46.81 -51.17 13.5 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 92.7 m-70 -62.67 -42.13 99.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.63 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 14.8 t -58.26 -38.59 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.14 -73.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.211 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.04 41.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.528 HD12 ' CH2' ' A' ' 124' ' ' TRP . 9.1 mt -114.0 168.84 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 58.4 m-85 -159.77 165.79 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -45.79 122.8 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 77.4 p -82.74 167.04 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.59 -26.03 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.2 147.09 46.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -100.91 -12.47 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.57 -24.54 56.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.15 161.46 26.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.65 -9.65 46.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.33 178.656 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.481 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.7 tpt -74.44 -27.03 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.6 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 65.7 t80 -46.93 140.55 6.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.6 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.94 60.64 5.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.569 1.826 . . . . 0.0 111.021 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -167.36 133.72 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 177.646 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -50.27 151.01 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -142.08 123.8 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.581 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.16 150.32 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 190' ' ' THR . 44.0 tp -140.36 137.62 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -40.71 -61.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.66 100.22 10.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -66.34 -19.49 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -177.069 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -5.88 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 231' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 229' ' ' LEU . 79.2 mtt180 -109.89 -5.49 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.533 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -64.5 143.41 57.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.006 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -157.22 156.89 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.749 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 16.2 mt -73.78 130.15 39.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 68.0 m -68.2 160.31 29.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.981 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -53.69 -33.29 54.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.57 -42.03 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -72.25 -42.04 66.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.57 -36.81 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -177.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -44.28 73.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.21 -54.99 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.431 1.082 . . . . 0.0 110.981 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.41 -46.21 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -175.159 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.12 -26.15 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.2 t -72.0 -30.82 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.581 1.176 . . . . 0.0 110.055 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 90' ' ' PRO . 3.6 mt -81.2 -18.4 46.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 130' ' ' LEU . 41.1 m-85 -139.27 -87.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.08 109.62 2.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.55 26.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.426 1.751 . . . . 0.0 110.998 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 165.43 31.38 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.094 179.099 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 245' ' ' LEU . 76.5 p -125.1 135.46 52.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.668 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -76.25 176.07 3.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.917 174.572 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.96 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.71 -13.76 5.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.3 mt 62.15 105.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 126.43 9.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.9 ptpt 170.25 123.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -67.21 167.5 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.16 . . . . 0.0 107.959 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -95.67 -2.58 47.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -129.56 151.86 49.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 p -86.52 -39.43 16.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -77.87 91.44 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.07 . . . . 0.0 109.591 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.46 167.1 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.01 149.92 52.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -141.81 173.75 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -166.15 140.31 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.82 115.87 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.31 -40.53 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -159.75 172.93 16.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.29 -175.22 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.58 144.04 28.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 -177.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -74.97 68.87 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -164.56 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -97.53 158.41 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.04 163.84 34.46 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 170.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.06 -58.5 7.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 -174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 -36.47 53.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.66 -46.21 89.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.73 -52.65 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.37 -36.02 52.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -63.68 -40.6 97.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -177.069 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.61 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 7.8 t -72.21 -58.59 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 176.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.19 -33.17 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' SER . 14.5 mtpp -79.32 -49.23 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -178.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.15 -36.19 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 15.9 mt -66.95 -51.82 50.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.208 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -58.96 -38.04 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.671 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -52.16 -39.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.7 m95 -89.61 -32.58 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -176.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -54.68 -22.5 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.85 -19.92 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.24 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.574 HG23 HG21 ' A' ' 242' ' ' ILE . 9.7 m -128.98 17.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -172.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.1 p -144.8 160.58 46.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 170.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 70.2 mt -61.78 155.94 21.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -131.75 165.04 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 171.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -137.03 125.59 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.5 t -108.34 162.13 14.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.07 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -105.7 147.81 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.21 140.29 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -105.97 -3.3 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -154.63 168.6 26.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.26 -168.48 54.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -108.99 111.44 23.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.257 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.35 160.62 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.31 -36.34 83.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.04 84.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.54 86.01 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.14 139.77 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 m -148.16 161.72 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.928 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.26 148.22 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 172.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -157.58 167.11 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.582 ' O ' ' C ' ' A' ' 149' ' ' ARG . 1.5 m -141.56 -174.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 174.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.582 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 26.48 -99.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 171.198 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -95.96 121.69 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.593 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 33.3 p-80 -156.32 32.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 174.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 83.12 -165.75 43.64 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.623 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.8 p30 48.97 -169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 0.803 . . . . 0.0 109.312 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -128.09 22.09 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -172.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.623 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.33 96.11 25.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 165.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.532 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 4.9 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 43.96 -148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.361 175.034 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.5 t -34.1 110.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.01 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.32 145.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.671 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.2 OUTLIER -120.38 161.94 20.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 178.409 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.18 164.26 36.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.85 161.3 35.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 -174.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.52 178.27 0.35 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.83 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.229 0 O-C-N 124.509 1.794 . . . . 0.0 111.076 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.3 m-20 -88.37 167.4 13.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.3 -38.86 2.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.37 160.19 29.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 0.725 . . . . 0.0 109.232 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.66 115.28 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.671 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 4.4 m170 -91.0 124.96 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.55 149.92 22.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.943 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.445 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 47.4 t0 -78.09 104.12 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ASP . . . . . 0.404 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -73.23 -24.46 60.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 176.744 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 49.4 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 176.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.33 153.26 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 61.1 tp60 -74.54 156.24 37.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.4 m95 -143.91 156.69 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' HA3' ' A' ' 192' ' ' GLY . 26.1 p -139.35 171.96 13.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -108.2 7.0 27.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -175.22 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 26.7 p -77.2 61.54 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 38.8 p -131.01 9.34 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.626 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 179.32 -138.98 3.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 97.3 m -81.18 77.67 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.419 172.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -41.63 105.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.04 -54.87 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.255 -171.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.511 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.4 t80 -47.41 -49.26 25.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.741 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -51.36 -38.53 53.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -178.765 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.22 -35.73 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.14 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.97 -38.93 86.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -177.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 -56.24 24.8 Favored 'General case' 0 N--CA 1.515 2.789 0 O-C-N 121.205 -0.934 . . . . 0.0 110.819 173.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -52.19 60.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.401 HG22 ' NE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -56.61 -39.31 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.221 -179.301 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.43 -46.18 29.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 111.073 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 95.8 m-70 -68.14 -41.44 81.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 0.813 . . . . 0.0 109.594 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -61.19 -34.7 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 -70.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 166.38 57.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.457 HD12 ' CH2' ' A' ' 124' ' ' TRP . 51.4 mt -139.73 154.68 47.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 0.715 . . . . 0.0 109.323 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 211' ' ' HIS . 46.3 m-85 -143.03 165.37 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 210' ' ' PHE . 60.5 m170 -39.49 126.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.597 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 33.5 m -97.16 174.45 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -87.51 -41.64 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.87 147.29 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.3 t -94.31 -22.83 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -65.43 -24.89 67.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.696 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.913 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -85.19 -13.73 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.331 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.613 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.4 tpp -75.48 -21.83 57.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 176.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 36.0 t80 -49.68 138.35 17.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 176.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.94 57.23 4.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.081 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.96 132.46 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 178.347 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -74.49 142.76 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.23 123.94 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 55.5 p -97.92 -179.32 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.2 tp -142.96 151.79 41.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.9 p -45.97 -44.98 15.39 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.072 . . . . 0.0 110.432 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.17 98.97 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.788 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.62 -22.64 67.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -176.778 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 230' ' ' THR . 1.7 p -74.89 -5.1 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -106.49 -5.05 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.614 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.66 153.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.6 152.11 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 12.4 mt -72.57 149.02 44.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 176.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.696 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 78.2 p -84.98 167.41 15.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -57.68 -33.03 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -45.7 66.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.95 -48.83 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.54 -38.42 82.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.65 -47.2 67.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.46 -49.93 7.76 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -60.0 -24.58 30.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 0.738 . . . . 0.0 109.338 -175.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.51 -45.22 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.9 t -53.8 -28.91 37.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 90' ' ' PRO . 14.9 mt -82.56 -32.69 28.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 2.8 m-85 -140.97 -83.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 88.99 122.68 2.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.98 28.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.76 . . . . 0.0 111.068 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.223 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 p -132.52 -109.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.417 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.647 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 177.61 167.59 0.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -177.785 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.0 85.07 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.013 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.83 6.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -173.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt 66.96 118.35 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.9 126.81 10.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 49.5 pttt 172.73 123.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -65.65 164.36 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -87.66 -3.95 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -172.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 161.43 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.303 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 p -86.25 -29.91 22.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -85.4 102.79 13.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.92 161.63 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -176.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.87 159.6 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -150.92 169.22 22.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -166.31 129.67 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -90.63 111.88 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.21 -42.18 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -173.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -151.9 168.51 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -116.1 -177.28 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -113.92 142.05 27.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.382 -178.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.85 66.79 5.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.021 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -161.6 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.1 158.58 31.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.98 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 110.99 172.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -64.28 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.173 . . . . 0.0 109.368 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 115' ' ' SER . 0.0 OUTLIER -47.28 -39.42 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -178.561 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.57 -42.44 98.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -173.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.09 -55.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -54.95 -33.17 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' ASP . 5.8 t -62.13 -50.09 73.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -49.65 -38.13 31.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.55 -51.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -49.11 -28.33 4.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.4 mttm -89.67 -50.81 5.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -177.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.79 -46.68 74.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -56.71 -55.19 37.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -62.32 -30.8 71.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.594 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.88 -32.77 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -177.3 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.9 m95 -89.69 -28.22 19.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 108.02 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.19 -24.26 17.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 110.26 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.72 -19.23 52.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.601 HG23 HG21 ' A' ' 242' ' ' ILE . 10.7 m -130.4 17.89 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -174.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.7 p -145.12 158.35 52.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.15 19.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 173.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 31.0 mt -66.44 154.21 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -128.98 167.86 16.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 171.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.06 154.43 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.7 m -155.61 145.11 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -96.91 153.33 17.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.24 154.4 46.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -103.14 -4.19 24.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.51 167.96 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.26 -173.84 54.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -106.55 103.18 12.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.78 163.78 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.01 -46.1 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.3 mt -113.93 91.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -92.15 116.21 28.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.18 140.48 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.35 164.1 38.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.6 m-85 -122.17 147.55 46.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.82 143.19 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.15 157.1 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 169.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 49.93 -166.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.343 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.76 144.02 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.662 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 50.8 p-80 -160.66 36.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.643 -163.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 124.28 -94.34 0.48 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -70.95 -173.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.3 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.0 t80 -90.97 80.97 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -157.56 78.64 3.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.07 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.44 4.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.721 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 49.31 -157.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 109.245 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.721 HG12 ' CE1' ' A' ' 157' ' ' PHE . 57.4 t -37.54 116.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 4.5 mt -91.21 -26.02 19.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 175.5 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -173.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.405 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 11.5 p-80 -145.11 170.28 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.618 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -149.62 172.33 15.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -122.26 158.18 30.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.29 166.17 0.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.114 0 O-C-N 124.573 1.828 . . . . 0.0 110.994 -170.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.76 159.76 19.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.48 -37.24 2.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.18 146.67 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.242 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -112.47 117.78 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -98.37 130.9 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.534 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 21.8 m-85 -116.49 157.38 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 175.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -77.96 138.87 39.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -25.46 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.38 -25.03 59.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.02 151.55 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.9 155.76 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -139.79 155.91 47.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 108.008 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.6 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 38.2 p -141.54 161.78 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -99.83 14.69 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -163.06 -172.92 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.1 p -85.14 55.61 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 11.0 t -127.34 5.14 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.6 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -156.78 -143.55 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.057 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 194' ' ' ASN . 93.1 m -88.7 71.06 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.409 169.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 193' ' ' THR . 21.9 t-20 -34.91 113.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.52 -41.67 98.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -173.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -61.6 -39.74 92.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -174.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.934 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -62.0 -38.2 87.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 177.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.36 -32.76 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.5 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.78 -41.62 91.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 201' ' ' HIS . . . . . 0.437 ' NE2' ' NE2' ' A' ' 205' ' ' HIS . 68.5 t60 -58.23 -56.24 24.56 Favored 'General case' 0 N--CA 1.514 2.758 0 O-C-N 121.195 -0.941 . . . . 0.0 110.898 175.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.83 9.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -48.58 -42.03 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.9 -47.41 79.6 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 56.5 m-70 -62.19 -34.66 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.588 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.1 m -70.65 -39.05 73.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.67 -67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 163.14 45.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.545 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.9 mt -121.16 168.64 11.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 0.713 . . . . 0.0 109.358 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 40.8 m-85 -159.18 171.54 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -46.14 122.68 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 32.0 m -84.75 174.17 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.963 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.63 -39.48 16.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.419 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 8.4 t30 -59.43 146.5 39.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -99.42 -9.8 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.68 -4.73 40.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.88 159.53 24.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.203 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -82.67 -21.99 34.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 176.83 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.42 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.9 tpt -72.64 -15.07 61.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 11.6 t80 -59.15 145.26 81.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -16.73 20.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.002 -170.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 140.33 31.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -57.24 153.95 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -161.24 122.69 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.613 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 92.2 p -114.56 173.21 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.8 tp -140.26 147.29 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 6.4 t -47.35 -37.64 11.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.49 104.11 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -67.07 -17.49 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -174.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.6 t -61.51 -9.34 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -111.34 -6.13 14.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.677 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -48.1 145.9 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.2 mtm180 -154.72 151.33 28.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 176.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.801 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.9 mt -69.31 138.99 54.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 42.7 t -77.46 168.57 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.47 -28.06 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.253 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.92 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.26 -47.77 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.691 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -65.11 -35.35 75.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -49.16 -46.22 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.03 -53.96 4.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.9 OUTLIER -54.8 -45.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -174.44 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.8 m -71.37 -27.11 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.0 mt -86.56 -16.32 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.481 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 3.7 m-85 -153.57 -82.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 84.64 126.27 1.45 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.452 1.095 . . . . 0.0 110.939 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.81 28.41 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.99 8.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 178.135 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -127.39 134.0 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.95 171.87 0.81 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.14 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.749 . . . . 0.0 110.997 175.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.9 -11.66 3.65 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -173.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mt 66.17 99.54 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 110.949 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt 177.15 123.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -59.77 152.67 22.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.047 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -90.74 -4.25 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -123.8 151.93 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 p -91.35 -31.72 15.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -74.89 76.52 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.627 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.53 158.14 32.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.34 145.72 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.37 169.7 17.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -95.57 116.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -40.73 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.18 168.48 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.55 -177.97 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -113.29 141.11 25.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 -177.337 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 69.46 5.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.94 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.6 mt -100.81 159.41 29.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 170.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -60.42 -60.8 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.62 -36.56 62.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -175.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.78 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.33 -56.01 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -51.38 -33.98 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.4 t -60.18 -46.29 90.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.77 -33.1 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.42 -52.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -26.78 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 173.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 45.7 mtpt -90.11 -53.17 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -175.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.52 -48.31 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.88 -52.9 58.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -30.77 71.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -174.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.604 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -58.92 -35.34 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 242' ' ' ILE . 98.0 m95 -86.74 -33.17 20.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -52.01 -27.49 13.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.46 -18.38 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 242' ' ' ILE . 10.6 m -128.72 16.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -170.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 127' ' ' VAL . 2.6 p -151.64 162.84 25.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.426 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -7.52 19.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 110.937 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.442 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.9 mt -59.64 154.51 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.227 -170.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -136.74 134.53 37.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.75 137.18 47.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -126.9 164.11 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -113.35 153.16 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -132.76 135.29 45.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -89.18 -5.08 57.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.88 176.86 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.78 -149.84 31.99 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.15 100.54 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.793 . . . . 0.0 110.302 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.17 156.09 38.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -36.34 83.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.5 mt -118.47 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.6 mtt -91.15 90.29 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.2 149.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -155.09 158.64 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 23.5 m-85 -122.46 130.32 52.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.56 169.01 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.9 m -134.21 -169.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 170.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 38.51 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.18 103.2 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.497 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 37.7 p-80 -103.87 50.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 -176.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 67.87 63.53 3.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.725 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 4.9 p-10 -178.84 -170.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 -171.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.4 OUTLIER -125.3 14.73 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.725 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -114.28 93.54 31.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 167.055 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.13 31.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.3 m-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 44.78 -152.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.0 t -38.11 115.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 193' ' ' THR . 1.7 mt -89.44 -37.18 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.91 144.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.1 OUTLIER -122.69 167.34 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 176.571 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.601 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.28 173.0 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.438 ' OH ' ' CE2' ' A' ' 155' ' ' TYR . 26.1 m-85 -143.01 159.59 41.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -175.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -53.34 162.61 1.13 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -69.43 139.88 54.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.75 -30.27 6.69 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.555 1.16 . . . . 0.0 110.926 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 157.62 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.91 111.55 9.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 25.4 m170 -94.33 124.1 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 17.0 m-85 -98.93 145.51 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 43.5 t0 -74.96 107.04 6.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -74.74 -25.72 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.28 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.8 t70 -69.46 -11.73 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -106.24 141.4 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.02 153.67 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -129.51 157.47 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.569 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 23.6 p -146.67 162.53 38.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -104.24 13.55 32.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -175.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.15 178.82 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.9 p -74.8 68.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 24.9 p -133.71 -52.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.569 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.73 -133.9 8.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 176.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 194' ' ' ASN . 52.0 m -94.12 83.93 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 110.408 168.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 193' ' ' THR . 19.1 t-20 -37.1 109.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.39 -54.58 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.554 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -51.11 -41.66 60.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 111.039 -174.549 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.95 -38.33 85.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.52 -34.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.85 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.8 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.58 -49.62 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -52.83 -55.97 19.16 Favored 'General case' 0 N--CA 1.515 2.791 0 O-C-N 121.139 -0.975 . . . . 0.0 110.873 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -50.88 -61.41 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.254 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.51 -45.4 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.23 20.58 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.9 m-70 -68.39 -37.89 80.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.381 0.695 . . . . 0.0 109.556 -177.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 72.1 m -68.93 -29.3 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.97 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 242' ' ' ILE . 54.7 mt -73.16 -50.77 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.35 50.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.838 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.9 OUTLIER -155.08 132.3 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 174.025 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 211' ' ' HIS . 22.2 m-85 -115.84 -178.31 3.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -171.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 210' ' ' PHE . 61.4 m170 -37.82 133.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.568 -170.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -96.21 168.6 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.76 -34.08 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.43 149.47 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.8 p -102.17 -3.85 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.06 -15.65 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.432 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -84.63 152.92 23.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -80.71 -17.44 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.56 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -71.97 -18.85 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 177.517 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 43.2 t80 -55.61 136.65 70.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.92 61.68 5.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.07 128.81 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 176.213 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.55 149.88 41.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 110.933 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -167.72 122.53 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.576 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.1 t -87.92 165.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 227' ' ' THR . 41.9 tp -137.09 126.03 24.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 227' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 226' ' ' LEU . 68.2 p -34.23 -62.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 110.381 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.81 87.89 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 13.0 t -67.83 -12.6 60.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -112.5 -5.5 14.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -48.23 145.03 3.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -147.42 160.01 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 177.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.604 HD11 ' CG1' ' A' ' 123' ' ' VAL . 3.5 mt -80.93 133.87 35.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 175.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 51.8 p -67.74 169.0 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.074 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -31.61 64.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.04 -49.5 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.218 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 238' ' ' ASP . . . . . 0.414 ' CG ' ' HB1' ' A' ' 217' ' ' ALA . 63.2 m-20 -59.56 -40.77 88.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -71.5 -39.37 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -53.94 -44.2 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.32 -56.97 4.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.5 OUTLIER -54.3 -26.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -176.339 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -79.93 -43.03 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 53.9 p -58.83 -27.4 65.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.2 mt -91.02 -16.18 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.442 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.2 m-85 -149.16 -93.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.87 118.92 3.89 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.14 23.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.565 1.824 . . . . 0.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 123.41 7.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.086 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 110.958 178.219 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -138.15 135.88 36.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.59 169.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 172.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.71 6.89 13.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.6 mt 58.02 101.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.376 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.636 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.94 129.1 12.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 pttt 178.85 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -69.17 150.65 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.03 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.2 -4.59 59.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 151.61 48.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -90.29 -33.91 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -79.41 84.43 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.44 158.71 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.0 150.46 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -141.58 174.29 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -160.82 149.94 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -109.36 118.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 173.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.92 -40.94 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -159.56 172.5 17.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.26 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -176.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.65 142.78 25.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 -176.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 64.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.583 1.833 . . . . 0.0 110.959 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -157.72 -49.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.37 158.3 34.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.95 163.59 35.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.058 170.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.55 -59.49 5.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.51 -35.48 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.74 -46.27 86.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.01 -53.84 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.9 -39.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.3 t -54.95 -42.89 72.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 -177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.05 67.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.45 -53.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -30.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 115' ' ' SER . 5.8 mtpp -88.48 -53.91 4.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.42 -46.55 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.04 -53.88 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -30.36 71.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -171.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.79 -32.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -178.49 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.775 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 95.7 m95 -87.44 -24.83 24.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -23.77 40.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 -20.89 55.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -176.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 242' ' ' ILE . 5.5 m -129.5 13.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -171.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.0 p -145.09 159.77 48.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 246' ' ' TYR . 51.4 mt -63.04 153.27 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -167.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.5 p -134.74 135.59 42.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 172.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -110.77 147.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -171.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.9 m -143.12 153.71 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.89 152.65 21.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.8 mt -125.71 138.11 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -76.12 -13.36 60.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.97 170.11 15.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.17 160.86 36.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.62 90.59 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.75 167.99 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.45 -36.54 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.8 91.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.01 80.86 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.052 . . . . 0.0 110.977 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.17 141.69 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.9 t -155.28 158.26 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.15 145.05 40.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 174.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.05 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.4 m -105.06 170.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.39 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.3 ptt85 42.15 -162.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.37 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.27 126.68 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.1 p-80 -134.24 47.01 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.645 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 69.81 -157.51 53.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.533 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 2.5 p30 48.61 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.3 t80 -101.36 -5.98 24.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -174.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.642 ' CD1' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.57 91.98 35.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 178.172 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.21 16.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 173.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.55 -149.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.444 HG12 ' CE1' ' A' ' 157' ' ' PHE . 35.6 t -37.13 115.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 172.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.65 -41.46 15.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.63 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -171.85 142.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 173.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -125.75 158.64 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 -177.491 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.91 163.24 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.384 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.642 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 9.2 m-85 -139.2 156.48 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -55.18 174.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 174' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.3 m120 -87.5 163.54 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.74 -37.58 2.95 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.549 1.156 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 66.2 t0 -65.7 149.93 49.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -126.41 120.49 29.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 16.3 m170 -98.14 126.08 43.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.569 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 27.9 m-85 -96.71 174.47 6.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 171.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.62 130.27 45.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 -21.86 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.36 51.4 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -161.8 154.2 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 55.7 tp60 -74.7 154.21 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.497 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 92.6 m95 -146.68 156.01 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 192' ' ' GLY . 5.7 p -140.77 177.09 8.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -117.24 26.07 10.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.42 178.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 226' ' ' LEU . 1.5 p -75.04 72.03 2.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -134.02 -48.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.57 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.8 -135.32 5.33 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 194' ' ' ASN . 30.3 m -80.28 79.03 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.388 172.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 193' ' ' THR . 50.0 t-20 -34.82 108.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 69.8 tp -64.73 -65.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.82 -49.51 10.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 197' ' ' LEU . 1.6 tm? -55.61 -35.63 66.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.239 -176.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.64 -34.21 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.92 92.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.361 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.817 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.43 -51.59 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -177.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -44.07 -55.38 4.76 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.157 -0.965 . . . . 0.0 110.827 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.63 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.7 mt-10 -51.24 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.07 -34.62 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.02 -48.5 38.52 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 96.1 m-70 -67.33 -41.45 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.573 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 45.2 t -55.91 -39.67 71.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.046 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.99 -63.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 156.24 49.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.567 HD12 ' CH2' ' A' ' 124' ' ' TRP . 11.4 mt -122.2 168.92 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -156.45 168.75 26.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -42.88 120.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 58.5 p -86.63 174.45 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.5 -37.48 15.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.05 148.27 44.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.5 t -97.67 -19.73 18.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.71 -4.87 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -81.34 -179.48 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.2 OUTLIER -95.38 -43.72 7.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -174.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 93.8 mmm -66.58 -17.04 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.7 t80 -43.41 137.55 2.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.36 133.41 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.8 144.35 56.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.102 . . . . 0.0 110.937 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -169.83 124.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.599 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.51 ' OG ' HG22 ' A' ' 190' ' ' THR . 1.6 t -120.38 134.52 55.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.671 ' O ' HG21 ' A' ' 190' ' ' THR . 46.3 tp -82.77 130.01 35.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 227' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 226' ' ' LEU . 60.1 m -36.46 -60.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.17 90.7 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.83 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -62.1 -24.53 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -175.656 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.443 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -63.34 -19.26 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -177.547 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -97.78 -5.52 34.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.713 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 8.5 t80 -47.0 152.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -158.0 158.23 34.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.775 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 61.4 mt -83.28 127.94 34.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 173.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 36.3 t -73.53 166.51 23.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -35.83 70.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 -174.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.29 -44.29 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.07 -41.65 73.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -68.9 -35.63 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -44.42 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -81.94 -53.14 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.7 OUTLIER -54.3 -46.2 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -174.231 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -26.64 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -175.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 29.5 t -72.56 -30.41 64.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.4 mt -84.06 -17.75 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 130' ' ' LEU . 51.2 m-85 -137.87 -87.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.95 110.92 2.4 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 168.36 25.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 164.88 32.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.254 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.5 p -116.15 136.07 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.628 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 172.53 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.628 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.03 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 -173.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.91 -10.73 6.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -170.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.0 mt 63.95 112.67 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.312 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.816 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -74.99 128.45 11.5 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.1 pttp 173.75 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.41 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 61.0 m95 -73.94 156.79 37.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.011 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.13 -3.69 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -141.03 155.19 46.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -178.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 p -89.14 -28.85 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -74.22 80.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD11 HD13 ' A' ' 130' ' ' LEU . 45.7 mt -78.75 157.19 28.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -175.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.21 154.3 49.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.357 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -149.26 171.01 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 110.964 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -160.92 145.34 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.62 117.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.45 -39.31 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -162.64 173.39 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.35 -168.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -114.82 142.05 27.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -177.349 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -75.06 67.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -161.97 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -101.39 159.2 30.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 163.43 35.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 170.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -63.14 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -174.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.12 -37.44 54.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.76 -46.56 84.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.39 -51.93 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.61 -34.26 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -64.13 -41.97 97.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.52 -36.52 71.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.87 -55.14 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.44 -31.11 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 36.3 mtpt -82.25 -55.06 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.99 -38.55 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.57 -49.25 71.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.755 HG13 HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.81 -34.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -178.796 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.891 ' CE3' HD13 ' A' ' 242' ' ' ILE . 82.9 m95 -91.69 -34.57 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -57.53 -23.21 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.265 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -17.53 51.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 242' ' ' ILE . 20.0 m -126.91 20.67 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -174.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 242' ' ' ILE . 68.3 p -146.59 159.36 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.393 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.961 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 97' ' ' LEU . 29.2 mt -60.66 153.05 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -172.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 134.25 40.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -103.67 130.77 51.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.968 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -120.6 150.96 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.081 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -91.82 156.11 17.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.4 mt -134.59 115.4 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -60.74 -22.47 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.53 165.06 21.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.69 173.64 24.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.8 99.68 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.09 162.04 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.43 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -63.17 -47.84 80.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -178.199 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.23 86.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.64 95.68 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.85 144.34 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -155.1 163.35 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -118.19 137.63 52.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 173.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.64 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -148.41 167.27 25.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -175.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.526 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.3 m -137.11 174.94 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 171.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.9 OUTLIER 33.67 -145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 178.394 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.49 100.75 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.64 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 36.1 p-80 -107.73 8.36 28.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.632 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 157.26 -90.74 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 4.7 t0 -72.34 -171.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -92.33 75.93 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.573 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.7 67.25 4.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.2 Cg_endo -75.02 131.32 14.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.415 1.745 . . . . 0.0 110.973 -171.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 8.5 m-30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -157.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.65 118.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.97 -36.63 18.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 180' ' ' PHE . . . -171.37 144.74 2.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 173.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.1 OUTLIER -118.69 174.1 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 176.147 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.97 164.25 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 176.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -114.61 171.32 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.52 171.13 5.49 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 177.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.63 151.28 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.75 -32.89 4.37 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.5 39.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.715 . . . . 0.0 109.353 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.4 111.31 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 21.7 m170 -95.45 121.76 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -177.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 22.1 m-85 -91.46 155.01 18.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.405 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 56.5 t0 -82.34 105.48 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.32 -24.33 59.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.415 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.6 OUTLIER -82.38 47.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.279 176.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.79 150.68 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 0.0 110.264 -177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -74.6 155.18 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.342 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.83 156.71 45.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 108.023 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.5 p -144.97 159.87 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.47 28.19 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.13 177.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.4 p -69.96 74.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.6 p -139.73 -48.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -108.96 -132.55 6.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 194' ' ' ASN . 22.5 m -91.38 89.06 7.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 0.723 . . . . 0.0 110.383 168.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 193' ' ' THR . 18.2 t-20 -42.76 111.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.14 -45.67 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -60.96 -38.35 85.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -174.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -61.69 -38.52 88.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.34 -32.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.16 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.762 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.4 -47.91 82.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -49.8 -55.95 12.19 Favored 'General case' 0 N--CA 1.514 2.737 0 O-C-N 121.153 -0.967 . . . . 0.0 110.899 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.407 ' OE1' ' CE2' ' A' ' 180' ' ' PHE . 3.1 mt-10 -50.51 -63.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 110.373 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.91 -36.68 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -45.5 -45.17 11.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 29.8 m-70 -66.17 -40.18 90.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.581 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.9 t -62.16 -44.57 96.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 242' ' ' ILE . 39.4 mt -70.38 -53.47 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -172.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 208' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 144.61 56.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 172.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 1.015 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -153.46 141.03 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.325 166.709 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 211' ' ' HIS . 41.5 m-85 -118.22 -175.37 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 210' ' ' PHE . 55.3 m170 -37.93 126.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.0 m -95.08 173.31 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.81 -42.33 15.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.296 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.56 148.53 23.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 64.2 p -95.97 -26.09 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.38 -15.89 60.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.52 159.61 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -27.83 19.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -176.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.544 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -63.45 -18.79 64.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 178.118 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.44 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 44.8 t80 -59.9 138.16 90.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 64.39 6.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -177.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.16 139.39 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -75.6 144.74 41.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -171.83 123.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -100.84 135.23 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.81 164.0 27.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -41.81 -35.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -145.03 116.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.364 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.765 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -68.51 -22.58 64.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -174.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.78 -14.03 61.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -114.27 -5.58 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.707 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -43.22 143.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.476 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 2.8 ttp180 -143.94 161.63 38.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 176.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -84.57 135.66 34.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 177.506 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.2 t -68.69 168.19 13.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.28 70.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -55.08 -44.48 74.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.14 -51.83 61.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.788 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -61.06 -35.86 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 240' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 239' ' ' ILE . 32.2 t-20 -36.48 -48.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.64 -50.11 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 1.015 HD12 HD21 ' A' ' 209' ' ' LEU . 0.1 OUTLIER -59.62 -19.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -174.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.84 -43.85 7.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 28.9 t -58.42 -36.47 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 110.006 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.2 mt -84.92 -15.56 44.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.41 ' CE1' HD21 ' A' ' 130' ' ' LEU . 19.8 m-85 -150.83 -93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.29 127.1 1.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 166.69 28.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.3 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 111.091 179.086 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -148.9 144.19 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.2 OUTLIER -57.15 169.71 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 170.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 173.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.21 -9.21 4.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 245' ' ' LEU . 67.7 mt 67.51 103.22 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.514 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.8 pttt 178.93 122.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.41 143.86 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -80.33 -8.43 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -114.07 155.9 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.6 p -93.62 -32.16 14.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -80.98 89.72 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 130' ' ' LEU . 50.9 mt -87.3 161.56 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.01 152.77 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -146.3 176.11 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -165.42 151.47 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG21 ' A' ' 117' ' ' VAL . 2.0 mm -108.83 116.42 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.98 -43.06 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 13.9 p-10 -152.98 170.94 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -133.34 156.14 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -76.21 144.06 74.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -175.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.94 74.04 4.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.94 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.364 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.61 157.46 35.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.584 1.178 . . . . 0.0 109.276 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.509 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 163.87 34.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 170.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.47 -60.89 3.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.16 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.49 -46.14 87.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.243 -176.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.4 -51.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.43 -34.83 62.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -60.48 -43.56 96.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.97 -45.16 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 101' ' ' ILE . 31.1 t -68.67 -54.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -43.65 -37.88 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.5 mttt -74.12 -51.95 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.83 -36.26 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.3 mt -67.22 -52.79 36.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.76 -34.78 76.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.615 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -54.04 -40.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.716 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.9 m95 -84.57 -31.83 24.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.99 -24.52 39.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -19.14 58.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 6.4 m -130.68 18.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.429 ' CG2' HG12 ' A' ' 242' ' ' ILE . 75.8 p -145.77 159.97 45.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 170.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.22 21.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.622 HD13 HD11 ' A' ' 97' ' ' LEU . 84.4 mt -57.51 154.68 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -136.45 134.54 37.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.47 124.82 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -105.99 163.34 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 144.47 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.89 133.46 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -97.52 -4.72 37.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -152.7 164.7 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.34 174.0 45.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.09 . . . . 0.0 111.049 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -92.93 95.47 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.297 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.82 162.02 7.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.69 -37.2 86.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.3 mt -115.4 84.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.69 84.45 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.43 137.35 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 t -151.39 163.88 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -175.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -116.08 156.85 25.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -158.87 142.72 15.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.6 m -107.92 159.23 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 48.4 -156.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.6 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.5 p-80 -135.43 26.47 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.635 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 87.08 -161.64 33.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 152' ' ' GLY . 2.3 p30 48.75 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 0.811 . . . . 0.0 109.339 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.5 t80 -97.26 -4.83 38.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -116.51 85.5 16.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 177.187 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.481 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.7 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 172.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 45.51 -151.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.335 178.26 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -34.91 113.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 174.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.98 -35.32 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.76 142.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.0 p-80 -133.64 161.35 34.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.58 174.61 15.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.2 OUTLIER -141.55 137.01 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 -175.261 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.712 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -56.86 155.4 15.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -171.567 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 174' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.93 174.01 9.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.23 -32.38 5.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.13 27.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.62 121.03 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -96.86 124.66 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.573 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 22.3 m-85 -105.8 162.85 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.976 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.55 127.15 36.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.5 -13.51 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 148' ' ' VAL . 1.1 t0 -92.38 36.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.07 165.54 27.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -82.48 154.85 24.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -149.2 153.44 37.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.585 HG21 ' N ' ' A' ' 192' ' ' GLY . 3.1 p -139.47 178.04 7.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -115.44 19.7 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.39 177.81 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 p -74.79 71.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 19.2 p -133.24 -46.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.417 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.585 ' N ' HG21 ' A' ' 187' ' ' THR . . . -118.9 -133.14 4.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.5 m -86.54 74.23 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.433 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 193' ' ' THR . 38.8 t30 -39.69 107.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.4 tp -56.42 -49.82 73.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -51.18 -44.38 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.629 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -55.94 -39.17 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.03 -32.97 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.86 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.777 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.36 -48.27 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -56.6 -51.08 70.03 Favored 'General case' 0 N--CA 1.515 2.798 0 O-C-N 121.18 -0.95 . . . . 0.0 110.883 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 5.5 mm-40 -51.1 -59.97 3.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.78 -36.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.25 -46.4 43.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.875 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 67.8 m-70 -63.9 -37.89 89.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.9 t -69.61 -27.94 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.03 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.46 -101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -148.82 25.03 1.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 19.0 mt -122.38 169.23 11.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 17.2 m-85 -146.08 -55.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.055 . . . . 0.0 110.982 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 6.3 m-70 -152.76 154.5 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 m -124.16 166.92 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.47 -30.71 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.75 148.1 40.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -95.77 -17.48 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.443 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.23 -23.89 63.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 238' ' ' ASP . . . -79.28 159.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -177.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -88.03 -20.08 26.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.7 tpt -69.38 -18.7 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 178.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.575 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 57.7 t80 -51.82 138.62 32.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 176.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 62.31 5.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.5 OUTLIER -168.27 132.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 176.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -51.44 154.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -139.71 168.31 20.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 1.061 . . . . 0.0 109.547 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 65.4 p -166.63 164.21 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.015 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.58 154.0 33.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.5 m -50.42 -34.55 24.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -139.75 105.93 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -68.61 -23.46 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -175.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.487 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -64.42 -10.5 25.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -106.61 -5.48 18.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.686 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -58.22 145.85 35.91 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 5.2 ttt180 -155.84 155.79 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.716 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 21.8 mt -71.59 131.42 43.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 84.2 p -73.34 166.69 22.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -36.21 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.7 -43.04 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 238' ' ' ASP . . . . . 0.669 ' OD1' ' HB1' ' A' ' 217' ' ' ALA . 86.1 m-20 -70.72 -42.16 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -174.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -67.82 -35.97 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -51.0 -43.34 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.46 -58.97 2.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -53.12 -45.67 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.328 -174.215 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.05 -24.7 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 45.0 t -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 89' ' ' ILE . 1.2 mt -79.12 -20.01 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 130' ' ' LEU . 32.3 m-85 -144.38 -90.6 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.74 116.7 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.77 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.409 1.742 . . . . 0.0 111.018 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.97 32.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.18 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -134.55 134.55 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.72 171.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.88 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.07 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.9 -10.8 4.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.4 mt 66.31 102.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.328 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 pttp 178.96 122.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.25 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -63.54 150.99 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 107.989 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -85.41 -3.68 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.08 153.69 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -87.01 -31.61 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -74.95 86.03 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.58 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.9 mt -83.5 160.37 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.35 156.75 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -149.5 171.48 16.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -160.46 147.09 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.97 117.21 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.358 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.72 -38.43 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -163.0 168.31 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 -166.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -175.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.88 139.19 23.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 59.43 5.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -154.74 -47.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.13 157.71 33.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.31 25.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.29 -64.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -36.25 20.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.37 -46.24 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.16 -53.78 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.14 -35.87 60.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 119' ' ' LYS . 4.0 t -59.07 -48.8 80.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.24 -37.44 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.93 -51.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -47.27 -29.91 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.1 mttm -89.0 -51.66 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.33 -43.19 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.228 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.2 -54.34 45.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -32.37 72.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.186 . . . . 0.0 109.379 -172.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.28 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 242' ' ' ILE . 96.7 m95 -88.8 -31.37 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.53 -23.17 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.07 -18.25 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 128' ' ' THR . 13.2 m -128.72 14.75 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -173.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -155.68 161.61 29.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 169.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.08 19.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 246' ' ' TYR . 60.7 mt -60.63 152.76 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.6 p -130.88 167.53 18.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.369 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.01 155.32 50.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.3 m -154.24 146.88 24.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.927 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -92.53 150.49 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.363 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.97 113.5 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.73 -23.7 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -157.19 167.96 28.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.93 -176.87 29.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.15 104.88 15.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.557 0.798 . . . . 0.0 110.353 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.13 164.01 21.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.2 87.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.8 mt -112.65 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.59 92.17 8.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.04 142.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -149.36 157.07 43.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.078 . . . . 0.0 110.01 -176.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 13.0 m-85 -119.23 144.14 46.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.4 144.45 10.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.81 156.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 49.53 -173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 110.281 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.6 140.22 8.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.694 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 24.0 p-80 -147.11 30.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.579 -166.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 128.22 -91.51 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.483 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER -71.01 -173.44 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -176.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.5 t80 -87.12 76.71 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -152.25 72.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 174.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.28 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -168.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.499 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.0 -153.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 178.588 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.499 HG12 ' CE1' ' A' ' 157' ' ' PHE . 25.6 t -37.26 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 175.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.492 HD22 HG21 ' A' ' 193' ' ' THR . 21.7 mt -81.52 -42.65 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.569 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -173.05 143.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.356 176.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -123.69 166.85 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.82 166.86 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.73 153.32 50.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -51.43 170.5 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.2 m-20 -90.03 160.21 16.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.13 -36.27 3.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.63 158.54 29.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 0.813 . . . . 0.0 109.267 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.55 121.49 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -104.15 123.11 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.573 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.562 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 28.3 m-85 -98.66 171.28 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 174.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -97.89 132.48 43.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -18.93 17.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.39 51.84 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -172.08 147.15 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 48.7 tp60 -71.54 153.62 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 110.219 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.512 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 89.0 m95 -136.26 157.06 47.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 108.066 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.613 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -135.61 171.25 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -113.1 19.23 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.85 177.73 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 16.8 p -76.83 66.55 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 110.433 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.1 p -127.54 -50.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.613 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.19 -134.39 6.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.044 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.492 HG21 HD22 ' A' ' 164' ' ' LEU . 94.9 m -85.08 84.58 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 0.728 . . . . 0.0 110.459 171.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -49.66 108.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.84 -43.69 97.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -60.7 -40.17 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.602 HD23 HD12 ' A' ' 218' ' ' LEU . 0.6 OUTLIER -61.75 -38.32 87.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.59 -33.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.54 -50.15 74.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -48.07 -58.89 3.86 Favored 'General case' 0 N--CA 1.515 2.794 0 O-C-N 121.208 -0.932 . . . . 0.0 110.877 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.569 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 3.1 mt-10 -51.44 -60.87 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.41 -39.56 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.68 -46.04 47.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.06 -43.94 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.659 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 69.2 m -57.11 -41.12 78.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 242' ' ' ILE . 75.6 mt -65.47 -58.82 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.09 52.69 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 242' ' ' ILE . 0.4 OUTLIER -155.93 142.63 18.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 172.201 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -119.09 -177.05 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -172.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -41.74 137.73 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.628 -173.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 212' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 213' ' ' ALA . 96.0 p -90.01 -105.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 212' ' ' SER . . . -174.92 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.83 147.73 37.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 14.2 t -88.59 -20.61 24.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.438 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.37 -18.02 59.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.26 171.76 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -104.95 -36.15 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -176.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.89 -18.61 63.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.539 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 13.1 t80 -44.07 144.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.03 -39.77 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 222' ' ' LEU . 1.9 tm? -73.28 131.02 41.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 223' ' ' TYR . . . . . 0.401 ' N ' HD13 ' A' ' 222' ' ' LEU . 39.6 t80 -48.19 152.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -149.09 160.33 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.539 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 31.6 t -158.98 179.73 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 226' ' ' LEU . 12.9 tp -153.1 147.61 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.3 t -56.73 -28.03 60.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -141.47 108.18 5.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -86.35 -17.08 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -171.571 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 4.9 p -64.16 -6.02 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -117.81 -5.89 11.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.706 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -44.64 144.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -177.715 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.468 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 1.9 ttt85 -151.43 157.17 42.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 123' ' ' VAL . 11.5 mt -77.52 136.85 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 176.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 46.6 t -77.71 166.62 22.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -34.02 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -55.48 -41.07 72.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -75.29 -43.08 53.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.652 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -65.79 -33.92 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 -177.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -47.44 -47.56 26.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.3 -55.97 3.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -173.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 209' ' ' LEU . 0.6 OUTLIER -51.13 -47.45 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.279 -175.574 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.49 60.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.4 t -70.92 -32.82 69.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.013 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.26 -16.91 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.467 ' CE1' HD21 ' A' ' 130' ' ' LEU . 33.8 m-85 -148.59 -90.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.41 120.03 4.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.77 26.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.47 7.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.439 1.758 . . . . 0.0 111.035 178.153 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.1 p -130.52 135.57 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.55 171.65 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 170.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 3.61 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.11 8.62 8.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp 54.17 95.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 129.02 11.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.052 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 176.11 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -62.82 146.99 51.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 108.011 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -81.71 -3.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.57 157.86 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 p -89.92 -30.09 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -77.66 87.7 3.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.61 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 130' ' ' LEU . 24.6 mt -86.11 152.59 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -178.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.04 150.4 48.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -144.65 173.59 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -161.42 152.46 18.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.68 116.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 172.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.27 -41.08 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -157.45 172.83 17.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -128.95 -176.81 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -106.72 143.52 27.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -175.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.96 63.71 5.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -158.13 -48.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 108' ' ' LEU . 24.0 mt -102.34 158.75 31.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 171.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -65.96 -59.6 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.4 -37.03 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.56 -45.89 90.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -175.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.25 -52.05 52.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -33.5 52.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -65.45 -42.91 91.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.76 -39.87 71.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 13.3 t -71.21 -56.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 177.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -44.6 -33.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' SER . 37.2 mtpt -79.08 -50.09 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.191 . . . . 0.0 109.306 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.79 -36.96 67.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.1 mt -66.67 -50.45 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.676 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.5 t -52.96 -40.23 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.877 ' CE3' HD13 ' A' ' 242' ' ' ILE . 76.8 m95 -85.13 -33.34 22.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.4 -22.71 54.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.08 -19.02 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.522 HG11 ' CG1' ' A' ' 239' ' ' ILE . 13.3 m -127.79 19.47 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.286 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.451 ' CG2' HG12 ' A' ' 242' ' ' ILE . 33.5 p -145.35 157.64 52.47 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 169.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -8.3 20.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.017 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.539 HD13 HD11 ' A' ' 97' ' ' LEU . 57.3 mt -59.81 154.66 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 -171.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.38 134.72 44.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.416 ' HB3' HD13 ' A' ' 121' ' ' LEU . 95.3 m-85 -107.25 147.5 30.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -142.54 147.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -99.01 148.82 23.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.236 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.15 121.97 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -60.79 -25.59 66.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 111.05 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.47 163.12 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 122.93 -147.22 16.71 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -128.51 81.14 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 0.808 . . . . 0.0 110.319 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.34 156.61 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.32 -56.12 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mt -98.71 91.87 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.87 87.33 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.412 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.6 mp -74.88 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -149.75 168.35 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -125.48 154.1 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -163.89 143.06 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.9 157.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 50.74 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -47.1 111.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 55.5 p-80 -111.26 47.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 170.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 71.83 -153.53 50.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -172.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.3 p30 48.64 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 174.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.7 t80 -107.72 1.43 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -174.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.568 ' CD2' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.95 94.99 45.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.0 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.431 1.753 . . . . 0.0 111.001 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.48 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.32 -155.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.254 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.48 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.1 t -39.37 123.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -38.19 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.469 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -170.51 145.87 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.47 168.16 20.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.639 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -153.76 177.86 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.568 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 57.5 m-85 -147.7 152.31 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -47.95 173.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.095 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 9.2 m120 -91.39 154.49 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.66 -36.93 3.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 16.1 t0 -72.85 144.71 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -113.31 123.25 49.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -97.52 127.76 43.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.653 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 202' ' ' GLU . 17.1 m-85 -112.78 160.97 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 15.4 t0 -87.41 135.15 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 173.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.93 -23.67 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -18.13 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 154.19 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.33 156.26 37.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -144.49 153.71 42.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 107.959 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.677 HG21 ' N ' ' A' ' 192' ' ' GLY . 25.1 p -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 176.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -97.27 -20.46 17.87 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -141.91 -166.23 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.0 p -76.13 74.69 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.1 p -131.85 -47.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.677 ' N ' HG21 ' A' ' 187' ' ' THR . . . -123.11 -131.57 3.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 111.03 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 194' ' ' ASN . 99.5 m -82.61 79.33 9.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 56.3 t-20 -41.18 111.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.17 -56.8 16.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.522 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.3 t80 -47.91 -50.02 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -175.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.947 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -50.19 -38.22 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.923 HG12 ' OE1' ' A' ' 202' ' ' GLU . 61.6 t -79.01 -38.83 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.948 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.94 -47.27 81.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -50.24 -50.86 48.66 Favored 'General case' 0 N--CA 1.515 2.788 0 O-C-N 121.183 -0.948 . . . . 0.0 110.839 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.923 ' OE1' HG12 ' A' ' 198' ' ' VAL . 1.8 mp0 -52.33 -63.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 mp -49.52 -41.71 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.31 -46.97 43.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 80.1 m-70 -64.28 -36.65 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.549 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.9 m -67.94 -34.48 76.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 242' ' ' ILE . 49.2 mt -75.08 -87.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -175.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' GLY . . . . . 0.593 ' C ' HD23 ' A' ' 209' ' ' LEU . . . -174.55 42.16 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -154.03 139.04 17.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.473 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 6.6 m-85 -116.05 -67.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -169.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -138.94 137.69 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.566 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 t -101.82 166.28 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.66 -20.18 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -78.6 147.87 33.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.1 t -105.06 -1.13 26.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.397 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.85 -5.0 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.495 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.21 151.84 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.948 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -75.99 -14.04 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.44 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.4 tpt -82.42 -7.07 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.548 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 35.2 t80 -74.85 144.09 79.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.96 59.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.8 tp -167.63 135.44 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.2 145.51 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.34 123.88 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.675 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 49.9 m -111.31 169.51 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.081 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 18.9 tp -142.14 151.96 42.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.3 t -49.42 -36.58 22.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.47 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -138.59 106.29 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.23 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.816 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.75 -23.67 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -176.577 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.402 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.24 -19.72 65.56 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.181 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 5.2 t80 -44.91 154.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -157.57 157.12 33.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.676 HD11 ' CG1' ' A' ' 123' ' ' VAL . 25.2 mt -77.63 145.97 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 92.5 p -70.38 163.9 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.45 -26.61 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -42.14 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.53 -46.23 86.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -48.58 -44.88 37.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.18 -61.89 2.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.877 HD13 ' CE3' ' A' ' 124' ' ' TRP . 1.0 OUTLIER -53.59 -46.42 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.36 -174.017 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -25.51 62.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -175.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 t -73.38 -35.7 65.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.22 -23.11 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.423 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.4 m-85 -139.72 -88.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 92.82 118.7 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 166.35 29.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.88 32.47 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.787 . . . . 0.0 110.954 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.193 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -123.45 173.91 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.356 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -88.9 170.4 11.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 176.647 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.92 124.56 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 111.043 -176.58 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.05 -2.16 78.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -174.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt 46.57 73.89 0.91 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.327 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.6 13.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 173.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -166.14 146.56 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -176.07 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -53.46 148.21 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -96.5 -3.94 42.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -174.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -121.7 154.15 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 p -91.36 -32.38 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 178.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -74.97 76.7 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.609 178.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.23 154.14 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -176.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.27 146.73 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 176.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -141.45 168.16 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -165.39 140.87 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 110.33 -174.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -93.48 121.2 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 177.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.9 t -81.36 -40.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -159.6 170.32 21.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -124.19 -176.22 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -177.312 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.83 142.08 25.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.371 -177.5 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.6 Cg_endo -74.97 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 178.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -160.45 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -178.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -103.07 159.43 29.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.08 165.73 30.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.941 170.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -51.9 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -171.781 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.32 -36.43 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -178.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.03 -46.44 87.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.7 -52.64 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -178.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -33.15 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -64.15 -43.88 93.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.72 76.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.35 -53.08 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -34.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 172.258 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 6.0 mtpm? -80.84 -55.86 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -177.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.22 -40.71 64.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -177.591 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 132' ' ' PHE . 94.1 mt -62.57 -51.06 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -34.37 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -175.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -36.66 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.569 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.724 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.5 m95 -85.73 -33.81 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.21 -24.35 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 177.17 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.44 -19.11 59.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.631 HG23 HG21 ' A' ' 242' ' ' ILE . 6.6 m -131.32 16.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -172.328 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.3 p -144.82 159.72 49.45 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 171.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -8.79 20.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 173.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.545 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 79.9 mt -59.59 155.47 15.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -170.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -137.72 134.85 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 173.033 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 121' ' ' LEU . 82.7 m-85 -112.02 136.84 50.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -172.615 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.4 m -127.22 147.15 50.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 178.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -90.89 149.44 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -130.71 128.75 41.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 177.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -88.95 -5.99 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -155.7 177.2 11.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 177.059 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.68 -155.54 43.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.01 105.58 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.66 156.03 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.38 -37.08 85.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 -177.066 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 mt -116.31 84.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.38 85.57 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.12 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -173.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -142.42 162.93 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -174.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.4 m-85 -122.4 146.7 47.11 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 110.919 177.167 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -159.98 -179.81 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 178.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 149' ' ' ARG . 14.5 m -136.42 161.78 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -178.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.561 ' CG ' HG23 ' A' ' 148' ' ' VAL . 0.1 OUTLIER 29.3 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 176.161 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 148' ' ' VAL . 10.4 tp10 -96.59 135.59 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 -175.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.846 ' CE1' ' CZ ' ' A' ' 155' ' ' TYR . 5.8 p80 -158.69 35.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 173.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 87.03 -166.02 36.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.598 ' CG ' HD11 ' A' ' 174' ' ' ILE . 0.0 OUTLIER 44.17 -159.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.362 176.842 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -124.96 77.01 1.58 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.846 ' CZ ' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -159.7 76.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 176.904 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 95.26 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -168.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 171.325 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.18 -153.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 178.753 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 157' ' ' PHE . 73.0 t -35.23 108.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.372 177.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.3 mt -79.68 -41.0 27.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 174.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.405 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -169.4 142.71 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 178.103 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.8 p-80 -130.65 167.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -154.08 158.61 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.76 164.09 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -83.1 154.36 67.05 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 168.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -171.726 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 12.1 m-20 -86.32 173.81 9.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.88 -41.03 2.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.6 t0 -65.22 143.13 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -108.45 123.12 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -104.26 121.0 42.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -173.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.512 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 31.8 m-85 -102.27 161.44 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 176.252 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -89.07 120.72 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 176.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.62 -18.06 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 177.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -91.62 50.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -175.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.74 167.07 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 173.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -78.41 156.21 29.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 -175.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.452 ' HZ3' HG21 ' A' ' 198' ' ' VAL . 97.4 m95 -140.14 158.58 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.99 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.601 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.1 p -145.43 171.67 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -120.62 26.39 9.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -177.293 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.04 176.28 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 25.0 p -76.46 81.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.4 t -157.03 -42.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.601 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -101.78 -141.9 12.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 174.004 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.524 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.4 m -90.75 72.57 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.384 166.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.524 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.3 t30 -34.17 110.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -172.537 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.8 tp -52.88 -52.1 58.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -171.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.7 t80 -47.63 -51.49 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.994 -175.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.928 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -48.01 -37.09 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 -179.652 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.452 HG21 ' HZ3' ' A' ' 186' ' ' TRP . 24.0 t -78.7 -42.93 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.087 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -50.38 -45.45 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 1.028 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.78 -52.98 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.031 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -44.61 -54.27 6.3 Favored 'General case' 0 N--CA 1.513 2.718 0 O-C-N 121.171 -0.956 . . . . 0.0 110.892 171.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.4 mm-40 -51.29 -64.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.382 1.051 . . . . 0.0 110.325 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -47.63 -43.23 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -177.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.08 25.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.4 m-70 -62.96 -42.61 99.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.9 m -60.21 -36.01 76.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.61 -75.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 208' ' ' GLY . . . . . 0.46 ' O ' HD11 ' A' ' 245' ' ' LEU . . . 171.87 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 177.243 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 209' ' ' LEU . 8.3 mt -115.97 162.44 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.25 177.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 48.3 m-85 -151.6 169.76 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -45.59 124.64 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.618 -166.09 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 35.5 m -80.51 174.61 11.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.74 -35.01 16.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 177.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.82 148.21 51.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 74.1 p -97.35 -27.83 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.75 159.96 32.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -89.9 -24.3 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 178.89 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.633 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.6 tpt -60.58 -27.09 67.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 110.919 176.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.2 t80 -52.74 147.55 15.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -172.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 134.78 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 -176.131 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.26 151.13 41.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 -177.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.67 146.9 11.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 22.4 t -114.88 -174.8 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -177.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -149.04 157.18 43.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 26.3 m -52.26 -37.68 56.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.13 127.7 19.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -97.98 -20.15 17.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -171.501 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 230' ' ' THR . 1.2 p -75.09 -19.56 59.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.378 -177.254 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.99 -4.95 22.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 175.551 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.2 t80 -38.82 152.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.982 -178.477 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -156.21 157.58 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.724 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.0 mt -77.69 147.32 35.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 15.8 m -74.56 159.86 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.74 -31.8 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -38.73 65.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 178.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -79.47 -46.82 16.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -174.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -60.92 -38.33 79.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -177.43 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -52.66 -45.0 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.5 -51.5 6.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -176.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.2 tp -58.67 -30.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -174.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -34.01 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 23.0 t -60.42 -26.21 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.08 . . . . 0.0 110.002 176.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 208' ' ' GLY . 15.2 mt -80.83 -34.46 33.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.545 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 5.0 m-85 -143.35 -84.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -177.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.27 120.67 3.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.47 26.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.14 31.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.454 1.765 . . . . 0.0 110.922 179.232 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -116.02 136.04 53.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.425 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -64.56 173.38 1.6 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 111.007 172.444 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.08 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.997 178.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.06 -10.93 4.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -173.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.8 mt 65.72 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.91 11.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt 172.96 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CB ' HD21 ' A' ' 97' ' ' LEU . 92.1 m95 -65.24 151.89 45.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.483 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -87.49 -4.04 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -173.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 8.6 pttm -127.26 152.72 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.631 1.207 . . . . 0.0 109.372 179.008 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -89.44 -39.35 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.382 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -74.49 79.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.511 HD21 ' CB ' ' A' ' 92' ' ' TRP . 23.4 mt -78.22 159.01 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.361 -176.206 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 150.89 49.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 173.467 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -144.51 169.38 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 178.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 144' ' ' ILE . 6.8 ttt85 -165.85 143.67 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -177.475 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -102.47 117.0 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 175.366 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -75.69 -41.03 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -152.43 171.52 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -177.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.94 -170.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -177.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -114.6 143.96 30.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -178.129 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 64.24 6.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.31 -48.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.7 mt -104.26 160.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -178.356 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.06 170.76 19.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 172.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.48 -59.92 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -173.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -50.77 -35.04 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -178.247 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.43 -45.54 90.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -175.648 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.39 -51.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.326 -177.627 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.49 -33.03 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -63.59 -45.25 91.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.992 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.62 -39.03 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.25 -53.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -44.86 -34.21 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.5 mttp -81.8 -56.34 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -176.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -52.82 -37.98 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -176.713 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.56 -52.9 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.5 73.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -173.647 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.661 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.23 -33.43 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -178.632 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.698 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.3 m95 -93.2 -32.43 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -176.271 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.3 -23.83 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 177.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -18.83 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -175.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.594 HG23 HG21 ' A' ' 242' ' ' ILE . 11.1 m -130.06 18.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -173.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.5 p -144.91 159.86 48.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.42 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.57 21.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 175.143 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 246' ' ' TYR . 53.8 mt -57.74 154.35 11.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -172.689 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 134.38 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 110.443 173.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -109.11 131.45 55.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -172.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.4 t -119.63 161.17 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 177.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -112.42 150.83 30.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.1 mt -128.27 125.9 39.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -77.73 -11.94 59.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 111.021 -177.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.44 171.03 20.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 176.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.16 -146.04 20.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.148 . . . . 0.0 110.968 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.55 148.95 42.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 110.232 -178.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -128.74 155.68 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.21 -39.66 93.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -175.54 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.49 87.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.1 mmt -90.59 83.63 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' ARG . 2.7 mp -70.23 145.21 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -174.379 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 m -155.39 159.06 39.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.33 139.69 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 174.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -148.47 162.08 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -175.275 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -130.56 -175.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 165.169 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 148' ' ' VAL . 35.1 ptt85 36.8 -157.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.186 . . . . 0.0 110.299 177.106 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.5 tm-20 -62.15 110.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 174.21 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 24.5 p-80 -117.99 7.74 12.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.073 . . . . 0.0 109.53 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.92 -94.64 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 t0 -73.69 179.25 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 177.792 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.6 t80 -83.63 80.52 9.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -176.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.608 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.92 64.71 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 178.396 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.72 23.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 -170.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 9.1 m-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 47.9 -148.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 177.376 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 162' ' ' ASN . 8.8 t -32.34 113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 176.332 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 9.2 mt -92.32 -33.55 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 175.694 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 179.56 141.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.18 170.33 10.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.056 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.61 164.49 38.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.018 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -122.78 152.43 40.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.827 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -61.55 177.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 170.393 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.827 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.417 1.746 . . . . 0.0 111.001 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.8 m120 -90.39 169.77 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.71 -38.14 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 176.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -73.6 149.15 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.321 -177.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -115.6 113.05 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.8 120.68 35.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -178.299 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.468 ' CD1' ' OE1' ' A' ' 202' ' ' GLU . 30.6 m-85 -88.98 153.67 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.077 172.257 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.7 t0 -84.4 107.03 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -24.22 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -80.19 50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 177.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 151.07 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 22.9 tt0 -73.82 156.95 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 177.323 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.405 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 91.7 m95 -141.28 155.05 46.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' N ' ' A' ' 192' ' ' GLY . 37.3 p -140.19 168.45 19.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -93.39 -23.43 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.21 -177.8 4.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -175.078 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 p -70.92 76.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -178.549 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.1 p -134.59 -48.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.457 177.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.626 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.58 -130.64 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.947 176.648 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 54.7 m -86.4 87.35 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 0.723 . . . . 0.0 110.402 171.268 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 197' ' ' LEU . 14.2 t-20 -46.09 115.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -178.469 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 68.3 tp -67.49 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.22 -175.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -42.49 -51.41 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 -177.588 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.525 ' O ' HD22 ' A' ' 197' ' ' LEU . 1.8 tm? -54.65 -38.14 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -177.102 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.23 -33.77 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.297 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.01 -39.4 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -177.207 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.64 -47.69 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -54.42 -54.36 41.83 Favored 'General case' 0 N--CA 1.514 2.768 0 O-C-N 121.101 -0.999 . . . . 0.0 110.818 177.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 180' ' ' PHE . 2.4 mt-10 -50.5 -62.34 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 177.315 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.05 -38.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -177.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.69 26.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.2 m-70 -70.72 -39.27 73.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.6 t -58.61 -39.25 79.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.992 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.65 -70.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -177.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 161.4 49.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 209' ' ' LEU . 10.8 mt -124.14 151.86 43.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 174.434 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 86' ' ' PHE . 85.3 m-85 -140.51 167.36 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 171.642 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 210' ' ' PHE . 35.1 m170 -41.91 139.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.634 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 11.1 m -103.48 167.39 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -78.25 -39.4 40.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.06 147.27 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.374 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.6 p -101.52 -11.37 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.11 -23.65 47.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 176.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.04 168.78 17.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -175.357 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -93.69 -20.56 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 177.678 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.38 67.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 22.4 t80 -43.06 145.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 175.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 -35.67 3.05 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -165.825 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.21 136.32 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 178.671 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -46.21 146.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.03 124.15 45.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -177.308 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 85.5 p -132.28 163.49 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.048 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.4 tp -155.18 149.62 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -50.37 -32.79 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -133.93 93.4 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 177.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.47 -21.79 66.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -178.54 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.3 t -66.86 -11.08 54.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -112.63 -5.69 13.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -176.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.66 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -47.28 146.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.46 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.4 mmt180 -148.28 148.26 30.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 178.264 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.698 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.6 mt -67.02 133.08 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 174.218 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 65.5 m -73.23 164.71 26.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 177.561 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.38 -34.84 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -177.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.45 -47.88 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.295 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.88 -50.45 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -177.311 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.686 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -64.24 -37.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 -174.609 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.26 -44.41 61.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.43 6.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 110.964 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.686 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.0 OUTLIER -60.94 -26.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 -174.577 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.35 -39.43 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.9 m -54.8 -29.93 55.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.41 -33.9 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 178.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 130' ' ' LEU . 40.1 m-85 -133.03 -91.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 111.001 -178.249 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.7 118.61 3.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.87 28.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 178.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.11 32.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.231 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -118.36 135.76 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.392 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -84.2 176.74 3.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 170.854 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.94 98.73 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 -173.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.73 -11.81 5.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -170.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt 65.13 110.26 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.1 Cg_endo -75.04 125.1 9.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.051 -177.631 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 245' ' ' LEU . 0.7 OUTLIER 171.48 123.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -177.051 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.425 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 97.9 m95 -73.97 156.26 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 177.346 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -87.25 -3.25 59.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -176.153 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -130.81 155.94 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -90.9 -35.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -76.92 82.23 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD21 ' CG ' ' A' ' 92' ' ' TRP . 14.0 mt -77.6 166.31 23.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -176.092 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.76 144.61 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 175.61 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -138.69 171.29 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 175.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -160.82 131.82 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 110.279 -175.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -94.28 114.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 176.19 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.57 -41.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -174.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -159.79 172.82 16.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.387 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -120.11 -165.49 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.086 -176.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -118.03 143.2 32.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -177.843 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.99 68.91 5.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 178.288 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.38 -48.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.614 1.196 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -102.11 160.31 26.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 165.03 32.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 171.119 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -58.76 6.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -170.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 -35.17 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -176.167 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.75 -45.89 87.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -176.107 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.27 -53.94 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -178.305 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -51.94 -34.78 43.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -59.2 -40.42 85.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -177.682 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.95 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 2.3 t -75.05 -54.87 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 177.426 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -47.13 -29.2 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 174.349 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 115' ' ' SER . 41.3 mtpt -84.3 -53.7 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -176.557 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.654 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.46 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 84.4 mt -64.0 -49.96 70.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -177.858 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -59.65 -37.21 78.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.718 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -57.35 -39.92 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -177.686 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.686 ' CE3' HD13 ' A' ' 242' ' ' ILE . 88.5 m95 -84.21 -31.84 24.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.025 -177.535 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.76 -22.7 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 178.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.2 -19.28 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -175.058 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.532 HG23 HG21 ' A' ' 242' ' ' ILE . 11.9 m -127.86 18.6 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -173.142 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 242' ' ' ILE . 61.4 p -144.89 160.43 46.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 169.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -9.03 20.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.35 154.9 40.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -169.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.1 p -129.09 167.97 16.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 169.575 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.62 134.56 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.5 t -124.24 179.99 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -128.76 152.46 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.7 mt -122.33 123.0 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -60.35 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -152.31 166.68 31.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 89.8 -159.39 27.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.03 142.32 35.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.248 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -115.12 163.03 16.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 176.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -33.9 76.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -177.143 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.4 mt -123.46 88.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.38 101.75 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.081 -179.545 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.45 142.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -175.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -150.61 169.93 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 20.7 m-85 -128.86 139.95 51.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 176.467 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 143.88 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 183' ' ' ASP . 1.3 m -93.98 178.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 171.834 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 41.93 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 174.36 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.86 138.24 50.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 177.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.0 p-80 -146.23 28.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -167.518 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 136.96 -89.18 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.063 179.134 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.12 -164.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -178.264 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.44 74.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.49 70.4 5.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 178.744 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 105.07 2.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 -171.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.739 ' CE1' HG12 ' A' ' 163' ' ' VAL . 3.6 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 173.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.08 -152.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 109.251 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' CE1' ' A' ' 157' ' ' PHE . 65.4 t -35.14 115.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 178.135 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.41 -39.34 12.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 173.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -166.85 142.22 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 173.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.79 162.56 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.591 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.88 145.71 20.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -174.46 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -99.08 170.65 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -64.85 167.54 9.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 175.372 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 -177.122 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -68.84 139.03 55.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.96 -28.19 9.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.57 155.56 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -176.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -139.79 124.26 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 178.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -112.16 139.48 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.572 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 20.9 m-85 -106.6 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 174.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.429 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -91.41 114.09 26.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 173.651 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.5 -23.86 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.7 t70 -74.31 -26.8 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -175.667 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.52 152.73 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -175.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -75.95 156.11 34.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -140.23 154.73 46.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 108.007 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.507 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 71.1 p -142.31 170.63 15.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.469 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.55 10.47 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -174.103 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -166.46 -170.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 37.9 p -77.88 70.45 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 110.383 -175.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 16.1 p -131.46 -49.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.464 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.507 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -102.71 -134.0 8.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 177.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 194' ' ' ASN . 42.6 m -94.91 75.44 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.414 169.075 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 193' ' ' THR . 9.8 t-20 -34.98 112.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -173.362 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -55.38 -52.91 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -169.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 229' ' ' LEU . 0.5 OUTLIER -48.9 -45.16 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -174.736 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.818 HD23 HD12 ' A' ' 218' ' ' LEU . 0.9 OUTLIER -52.4 -39.28 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.207 -179.051 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 54.4 t -79.79 -32.96 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -66.37 -42.44 88.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -176.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -67.99 -22.44 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.38 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.34 -57.89 3.6 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 121.185 -0.947 . . . . 0.0 110.78 174.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -54.17 -51.34 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.2 OUTLIER -54.46 -38.93 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -177.526 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.64 -39.34 60.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 -178.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.672 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 35.7 m-70 -66.71 -37.72 85.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.584 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -70.79 -34.95 72.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -178.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.81 -53.55 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -176.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.94 56.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.562 1.164 . . . . 0.0 111.053 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.836 ' CD2' HD12 ' A' ' 242' ' ' ILE . 1.3 pt? -164.81 132.42 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.726 . . . . 0.0 109.301 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 211' ' ' HIS . 33.0 m-85 -109.48 -173.86 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 111.016 -177.735 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 210' ' ' PHE . 46.9 m170 -35.66 131.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.61 -175.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 61.7 p -86.25 177.14 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 -179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.46 -30.39 23.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.1 150.83 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -178.399 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.2 t -97.82 -19.52 18.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -178.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -11.25 59.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.82 171.79 14.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -94.96 -24.5 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -176.084 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.568 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -70.66 -15.26 62.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 177.013 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.554 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 62.6 t80 -64.07 137.63 97.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 175.313 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.03 65.43 6.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 222' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.9 132.16 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 177.74 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -74.08 149.24 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -172.0 123.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.548 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 68.0 m -97.49 170.38 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -177.477 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 33.1 tp -130.94 152.86 49.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.042 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.1 p -39.66 -56.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -120.2 100.54 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.782 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -176.003 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.404 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.38 -22.43 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.178 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -96.27 -4.93 41.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 3.9 t80 -42.46 155.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -156.15 156.2 33.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.718 HD11 ' CG1' ' A' ' 123' ' ' VAL . 6.1 mt -79.96 148.48 31.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.307 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.3 m -76.19 156.31 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 177.031 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.18 -31.06 51.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -39.37 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -76.88 -44.07 33.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.213 -174.803 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -62.88 -35.77 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -178.468 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -52.24 -49.9 63.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -74.84 -51.46 7.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -175.055 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.836 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -56.97 -24.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -175.934 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.3 -36.89 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 110.298 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 91.1 p -56.07 -32.91 64.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.6 mt -87.43 -21.13 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -178.091 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.425 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 32.5 m-85 -141.06 -90.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.13 122.64 2.7 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 176.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.55 28.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.831 . . . . 0.0 111.04 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 123.79 8.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.362 1.243 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 178.201 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -142.15 137.59 31.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -177.015 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.45 170.18 0.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 173.766 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.19 4.36 18.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 111.032 177.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.512 HG23 HD23 ' A' ' 245' ' ' LEU . 3.9 mp 53.84 96.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.769 . . . . 0.0 109.284 -177.46 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.583 ' HB3' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -178.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 pttm 178.52 121.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -176.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -66.47 149.6 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -94.46 -2.27 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -176.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -121.45 136.63 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -83.0 -35.78 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -74.39 77.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 178.069 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.22 149.17 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -177.432 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.96 151.13 47.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 173.262 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.57 170.97 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -166.19 141.74 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -177.263 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -100.34 113.67 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 174.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.53 -40.97 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -173.275 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -154.2 173.27 16.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -177.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.18 -167.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -117.85 144.01 33.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -177.786 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.98 73.4 4.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.264 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.54 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.588 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 187' ' ' THR . 22.2 mt -103.21 159.62 28.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.96 167.68 26.52 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 172.514 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -67.89 -55.88 11.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.08 -35.68 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -177.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.558 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.67 -45.96 90.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -176.026 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -52.67 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -177.334 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.78 -33.69 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -66.39 -42.63 87.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 -179.207 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.1 -39.19 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 10.9 t -71.28 -58.29 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 176.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -43.67 -34.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 176.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 27.2 mttp -83.79 -45.12 13.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -175.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -60.24 -32.97 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 28.7 mt -71.26 -53.57 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -178.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.21 -31.35 70.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -176.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.688 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -56.29 -37.05 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.671 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 84.9 m95 -87.62 -33.29 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -54.63 -23.79 18.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.33 -19.9 49.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -175.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 6.3 m -129.95 17.7 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -173.078 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 63.6 p -144.49 159.16 52.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 110.36 171.34 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.69 21.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 175.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 246' ' ' TYR . 45.3 mt -60.01 152.19 24.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -171.152 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 134.74 47.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 173.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -107.88 131.3 54.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -173.628 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.9 t -124.83 163.41 22.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 1.076 . . . . 0.0 109.955 176.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -118.39 150.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.99 133.98 53.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -72.35 -15.7 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -159.49 169.52 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 175.347 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.44 176.34 41.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 178.084 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -93.6 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.271 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.55 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 177.694 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.04 -49.93 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.63 89.86 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.91 90.75 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -178.403 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 144.21 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -177.162 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -156.21 160.41 39.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -178.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -111.03 140.52 45.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.25 168.17 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 -176.59 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 6.1 m -139.61 -175.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 174.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 148' ' ' VAL . 7.4 mtp-105 33.61 -142.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 177.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.38 99.8 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 176.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.611 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 38.4 p-80 -100.13 54.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 178.041 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 58.92 63.45 5.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -177.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.62 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.6 p-10 -174.71 -174.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -172.292 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.6 t80 -113.74 2.5 15.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -175.667 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -113.49 92.82 24.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.035 176.119 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.52 30.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -175.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.7 m-30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 178.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.12 -153.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 178.304 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 4.4 t -36.41 116.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.422 HD13 HG23 ' A' ' 193' ' ' THR . 4.9 mt -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 176.196 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.36 146.21 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.1 OUTLIER -126.95 165.94 18.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.555 178.145 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.74 161.59 34.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 174.253 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.476 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 59.6 m-85 -133.75 140.15 46.8 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 111.069 -171.207 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -53.37 150.01 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 175.489 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.092 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -171.625 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 18.3 m-20 -88.36 176.62 7.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.51 -39.16 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.558 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.41 150.46 36.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 176.337 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -116.75 112.03 20.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 7.2 m170 -89.46 123.19 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.566 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.67 145.62 27.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 173.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 19.4 t0 -78.92 109.2 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -174.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -23.08 53.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 177.621 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.45 ' H ' HG12 ' A' ' 148' ' ' VAL . 4.8 t70 -80.5 49.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.13 153.96 16.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.321 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 23.5 tt0 -73.38 158.09 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 177.021 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.422 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 93.1 m95 -143.56 156.51 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.69 HG21 ' HA3' ' A' ' 192' ' ' GLY . 69.5 p -139.45 163.72 31.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 178.107 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -92.88 -11.21 34.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 177.548 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.51 -169.92 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 23.9 p -78.15 70.98 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -176.426 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 9.3 t -143.45 21.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 175.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.69 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 176.91 -133.47 2.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 164' ' ' LEU . 42.4 m -88.84 87.73 7.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 110.422 170.67 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.494 HD21 HD13 ' A' ' 229' ' ' LEU . 10.3 t-20 -52.15 110.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.374 -176.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.64 -57.4 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -174.14 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.564 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -52.49 -41.57 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -174.466 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -37.79 79.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 178.48 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.18 -34.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.31 82.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -178.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.95 -38.65 89.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -66.64 -53.76 30.64 Favored 'General case' 0 N--CA 1.516 2.831 0 O-C-N 121.164 -0.96 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -57.47 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -54.28 -35.87 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.38 -176.01 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.67 43.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.062 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 74.1 m-70 -66.84 -38.53 86.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.546 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.0 t -65.0 -28.86 69.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.19 -105.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -175.565 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -143.27 12.04 2.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.078 -174.584 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.516 ' HG ' HD12 ' A' ' 242' ' ' ILE . 14.1 mt -112.96 172.26 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.531 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 9.0 m-85 -151.34 -63.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.929 178.701 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.04 137.55 21.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.396 1.06 . . . . 0.0 109.682 -176.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -94.02 177.48 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -99.75 -39.85 8.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.243 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.07 157.45 36.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 215' ' ' THR . . . . . 0.401 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 70.4 p -94.88 -29.72 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -178.02 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -8.22 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 110.262 -176.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.65 -178.91 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -178.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -94.1 -48.65 6.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -174.615 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 94.3 mmm -67.86 -9.04 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -173.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.8 t80 -44.46 129.46 4.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 174.638 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 57.17 4.45 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 -176.606 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 149.29 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 174.096 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -75.74 145.74 40.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -169.62 122.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.688 177.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 5.1 m -110.23 134.67 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -177.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.7 tp -81.64 150.05 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.01 -44.38 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 110.406 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.74 104.26 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 175.459 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.714 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.53 -18.32 63.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -176.228 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -9.83 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -178.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -114.84 -5.69 12.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -176.353 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.628 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.77 141.93 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -177.734 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 4.1 mtt-85 -152.63 148.93 27.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 178.062 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 123' ' ' VAL . 19.0 mt -68.9 132.42 46.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 176.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 67.9 m -73.54 158.53 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 177.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -29.51 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 -178.504 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -50.96 -50.75 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 176.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.91 -48.58 62.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -173.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.669 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.51 -43.4 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.644 1.215 . . . . 0.0 109.334 -174.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -49.2 -43.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.42 -57.15 4.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.669 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -53.73 -29.42 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 109.253 -173.525 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -77.87 -39.75 42.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 p -60.68 -30.19 69.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.512 HD23 HG23 ' A' ' 89' ' ' ILE . 1.3 mt -89.15 -19.1 25.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.558 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 46.3 m-85 -139.78 -92.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.32 112.85 2.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 172.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.91 32.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.914 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.221 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.542 ' C ' HG23 ' A' ' 85' ' ' THR . 8.3 mtp180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.542 HG23 ' C ' ' A' ' 84' ' ' ARG . 28.1 p -159.22 135.32 8.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.381 -169.403 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.07 169.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.904 176.739 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.574 1.829 . . . . 0.0 111.015 178.623 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.77 -7.8 6.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -174.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.3 mt 67.28 106.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 178.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.0 130.72 13.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? 175.55 125.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.173 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.429 ' CG ' HD21 ' A' ' 97' ' ' LEU . 90.7 m95 -64.65 151.02 45.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.95 -4.86 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -176.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -126.29 157.71 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.7 p -92.98 -38.2 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -75.32 88.16 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.554 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 92' ' ' TRP . 17.9 mt -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.195 . . . . 0.0 109.321 -177.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.9 148.1 51.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 174.297 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.401 ' CD2' HG11 ' A' ' 117' ' ' VAL . 11.6 p90 -137.57 174.34 10.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 176.029 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -163.59 147.76 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -177.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mm -102.97 117.43 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.36 172.103 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.56 -38.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -160.33 169.37 23.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.192 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.69 -177.3 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -175.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -109.36 143.96 28.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -175.291 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.42 6.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.28 -48.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 108' ' ' LEU . 19.2 mt -104.63 157.31 34.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 178.001 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 168.81 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 173.545 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -63.82 -63.35 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -173.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -33.62 40.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.558 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.97 -45.81 90.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -177.234 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.47 -52.81 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -178.28 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.56 -34.83 59.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 109.309 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -46.44 89.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.396 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.18 -41.57 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.852 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 24.1 t -72.16 -55.44 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 178.483 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -44.73 -33.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 176.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -85.38 -43.2 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -176.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -61.4 -32.35 72.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 40.4 mt -71.54 -52.09 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -178.693 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.25 -34.6 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -178.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.616 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -54.83 -34.27 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.706 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 61.7 m95 -86.74 -36.44 18.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.034 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.01 -24.42 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.87 -18.87 53.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 242' ' ' ILE . 8.0 m -131.67 17.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -172.472 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.7 p -145.31 158.85 50.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.4 20.74 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 176.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.45 154.24 42.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -168.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -126.6 166.33 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 171.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.53 158.46 43.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.912 -174.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.3 m -154.78 150.0 27.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -98.27 152.67 19.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -178.371 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.0 mt -131.87 121.03 23.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 177.08 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -77.49 -10.45 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.416 1.073 . . . . 0.0 111.042 -177.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -151.0 172.49 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 176.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.16 -160.49 53.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 176.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.9 153.96 21.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 -178.552 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.27 161.45 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 177.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.19 -39.86 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 17.7 mt -119.93 86.43 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.61 87.38 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.403 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.7 mp -73.24 136.35 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -175.305 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 p -143.9 164.93 29.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -172.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 15.0 m-85 -126.67 151.26 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 177.139 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.07 143.14 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 175.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.6 m -93.04 173.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 171.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' VAL . 20.7 mmt-85 39.9 -147.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 175.851 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.11 143.57 31.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.574 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 42.7 p-80 -158.51 30.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.631 -160.522 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.74 -91.47 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.571 1.17 . . . . 0.0 111.003 -178.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -73.46 -164.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.092 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.72 78.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -178.653 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.574 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.02 75.48 6.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.417 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.83 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -170.229 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.4 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 111.0 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.17 -157.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 0.719 . . . . 0.0 109.278 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.0 t -42.66 117.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.76 -42.19 12.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 173.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.82 144.81 6.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.41 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 6.3 p-80 -133.9 161.76 33.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 178.632 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.12 175.54 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -175.536 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.72 165.83 26.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -176.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.07 163.72 0.66 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 -177.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.87 150.34 49.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -175.204 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.2 -36.79 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -75.79 158.46 32.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 -177.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.22 125.34 29.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 176.851 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -103.58 123.95 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.622 -174.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 8.1 m-85 -107.47 163.4 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.904 175.655 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.462 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -84.55 137.48 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.269 175.097 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.66 -22.67 14.39 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 177.391 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -78.19 -23.23 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -80.76 152.43 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -177.538 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -74.73 155.58 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 176.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -143.17 153.05 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 108.04 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.548 HG21 ' N ' ' A' ' 192' ' ' GLY . 29.1 p -138.71 165.76 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.401 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -16.16 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -176.081 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -139.09 -177.08 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -176.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p -71.85 78.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.4 p -137.52 -51.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.548 ' N ' HG21 ' A' ' 187' ' ' THR . . . -110.14 -131.08 6.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 178.173 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 194' ' ' ASN . 23.4 m -88.72 79.08 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.736 . . . . 0.0 110.404 169.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 193' ' ' THR . 26.0 t-20 -39.9 111.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.256 -175.901 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.47 -50.69 72.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -172.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.519 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 1.3 t80 -50.77 -44.55 58.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.935 -175.071 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 218' ' ' LEU . 1.0 OUTLIER -50.57 -44.44 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.25 176.415 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.84 -35.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -175.487 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 178.612 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 1.034 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.58 -49.96 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.385 -176.359 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -53.27 -48.83 67.96 Favored 'General case' 0 N--CA 1.515 2.803 0 O-C-N 121.189 -0.945 . . . . 0.0 110.874 174.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.4 -53.16 57.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.215 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -52.58 -39.27 53.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 63.7 m-70 -73.19 -36.58 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.575 178.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 67.9 m -67.08 -25.06 66.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.044 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.5 -102.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -155.81 23.84 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.585 1.178 . . . . 0.0 110.991 -176.677 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 210' ' ' PHE . 89.0 mt -118.34 -179.95 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 174.511 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.648 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -156.51 -60.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 177.221 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.54 124.54 10.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.615 -178.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 212' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 11.2 m -76.93 -94.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.987 -176.613 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.91 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -176.587 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.403 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 2.3 t-20 -63.82 149.25 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 178.365 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.9 p -91.78 -14.38 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -178.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.08 -7.83 50.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.71 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.034 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -93.99 -21.67 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -178.102 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 2.0 mtp -86.75 15.3 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.608 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.7 t80 -82.65 149.32 60.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 171.632 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.02 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -171.118 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 134.9 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.48 155.37 15.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -174.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.29 178.79 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 109.556 -178.42 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.2 t -165.42 -175.84 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.04 157.53 42.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 11.8 t -57.08 -31.4 65.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -146.45 123.86 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 177.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.732 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -94.75 -19.79 20.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -177.092 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.45 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -60.3 -11.13 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -178.292 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -119.84 -6.32 10.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.3 t80 -43.01 152.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -174.524 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -156.16 157.23 35.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 173.245 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.706 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.1 mt -72.96 138.58 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 34.2 m -62.86 156.5 23.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 177.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -54.55 -29.28 50.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -38.92 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.73 -43.92 52.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -174.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.25 -37.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.98 -43.13 60.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.9 5.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -176.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.7 tp -57.48 -29.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 -174.031 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.03 -34.87 37.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.4 p -57.14 -29.77 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -178.453 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -97.09 -18.91 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -176.263 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -141.66 -96.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -176.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.26 117.38 3.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 177.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 168.66 24.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.04 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.428 1.752 . . . . 0.0 110.992 179.213 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 86' ' ' PHE . 81.9 p -110.84 -103.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 176.89 168.7 0.43 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.97 105.88 2.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -178.605 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.82 -8.9 34.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.937 -177.065 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.9 mt 48.38 72.0 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.89 17.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 172.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -166.61 134.84 2.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -174.704 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.33 129.91 40.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 178.283 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -82.82 -4.24 57.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -174.667 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -116.04 152.48 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -178.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 p -90.54 -33.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -80.09 87.54 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.7 mt -89.34 161.51 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -176.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 152.07 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 174.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -141.9 172.58 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -164.22 147.45 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -177.138 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.74 115.78 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 174.258 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.37 -40.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -175.356 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -157.25 173.22 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.36 -173.54 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -176.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.27 144.19 29.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.369 -176.39 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 65.78 6.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.977 178.669 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -160.3 -48.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.99 158.05 32.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 166.98 28.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 170.158 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.09 -62.33 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -174.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.45 -36.59 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.4 -45.5 92.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 -175.774 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.21 -53.7 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.46 -40.19 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' LYS . 3.0 t -57.46 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 -178.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.19 -36.69 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -178.14 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.78 -55.17 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 178.139 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.24 -29.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 173.539 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 41.9 mtpt -85.39 -54.33 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -176.063 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.582 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.75 -45.3 74.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.376 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.02 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.14 -41.19 96.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -177.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.51 -33.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -177.627 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.664 ' CE3' HD13 ' A' ' 242' ' ' ILE . 91.6 m95 -89.53 -36.4 15.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.338 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -55.97 -23.33 31.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.29 -19.17 56.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.611 HG23 HG21 ' A' ' 242' ' ' ILE . 12.0 m -128.92 18.38 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.286 -174.016 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 69.1 p -144.72 160.04 48.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 171.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.86 20.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 174.433 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 246' ' ' TYR . 88.5 mt -56.85 157.1 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -172.199 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 p -139.24 133.81 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 172.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.86 132.17 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.933 -172.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 m -123.1 150.04 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.053 177.562 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 153.66 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.6 mt -126.71 111.89 14.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -55.99 -25.38 43.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -178.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -159.21 164.53 34.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 175.315 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.86 -167.0 22.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.1 146.12 24.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 110.352 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.74 43.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.43 -35.17 79.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -176.248 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.7 mt -120.25 84.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.76 88.54 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.15 143.2 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -174.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -152.76 159.13 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -176.239 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -111.36 141.28 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 173.353 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.87 161.49 42.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -175.235 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.518 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.1 m -131.33 -173.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 167.831 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 35.5 -154.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 177.803 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 104.31 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 173.599 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 21.7 p-80 -101.32 57.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.192 . . . . 0.0 109.626 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.53 66.17 2.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -177.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.649 ' OD2' ' CD2' ' A' ' 151' ' ' HIS . 2.8 p30 176.17 -169.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -170.108 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.04 20.58 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -177.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.636 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -125.06 90.42 51.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 166.694 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.2 36.29 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 6.9 m-30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 175.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.34 -154.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.9 t -38.27 111.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.33 -39.81 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 176.202 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -173.94 141.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 177.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.438 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 0.0 OUTLIER -124.62 167.13 14.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.502 179.89 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.15 170.6 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 176.098 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -139.56 141.52 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -175.093 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.08 154.48 19.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 173.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 110.941 -170.581 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.3 m-20 -88.4 176.97 6.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.13 -39.86 3.1 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 151.8 40.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 178.48 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.781 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -117.83 119.23 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.257 -179.343 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 6.0 m170 -99.56 120.56 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -177.239 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 32.9 m-85 -97.04 146.62 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 174.476 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 10.3 t70 -73.37 104.93 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -178.075 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.54 -26.45 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.46 49.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 178.178 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -167.67 142.35 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -178.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -71.76 154.72 41.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.21 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -135.79 156.19 49.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 107.99 -177.179 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.585 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 15.1 p -141.87 171.94 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 176.165 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -112.29 29.56 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -170.92 -173.27 1.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 34.9 p -86.35 86.44 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.389 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.8 t -155.76 -41.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 177.313 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.585 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -115.72 -134.82 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 173.052 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 28.3 m -84.55 83.31 8.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 110.367 171.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 198' ' ' VAL . 36.3 t-20 -42.7 103.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.02 -57.81 8.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 -172.169 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.523 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -53.82 -36.34 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 111.01 -173.182 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -63.77 -36.82 85.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 177.715 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 194' ' ' ASN . 67.4 t -76.15 -38.13 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.359 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.15 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.866 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.1 -51.17 71.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 201' ' ' HIS . . . . . 0.413 ' NE2' ' NE2' ' A' ' 205' ' ' HIS . 30.6 t60 -50.34 -56.31 11.86 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 121.158 -0.964 . . . . 0.0 110.828 174.54 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.781 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.2 mm-40 -50.04 -63.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.69 -44.85 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.07 -46.57 20.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.074 -177.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 83.8 m-70 -67.16 -43.99 80.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.583 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 20.5 m -59.56 -34.01 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -177.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 61.6 mt -73.52 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.6 35.8 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.509 ' HB3' ' SD ' ' A' ' 219' ' ' MET . 6.6 mt -116.45 172.27 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 176.74 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 29.6 m-85 -159.0 175.62 13.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.92 117.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.63 -172.117 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.9 m -78.82 168.73 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.91 19.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.42 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 0.5 OUTLIER -66.14 145.97 55.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.337 -179.064 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.3 t -98.54 -8.7 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -178.4 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -87.26 -14.78 40.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.95 172.66 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -177.22 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.866 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -99.95 -28.15 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.746 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.5 mtp -70.17 -16.44 63.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 110.982 -178.794 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.564 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 22.3 t80 -45.57 145.22 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.91 172.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.564 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.01 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 -167.131 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.56 144.47 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.51 161.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -144.19 156.7 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.14 165.83 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 178.044 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 20.6 tp -147.44 153.22 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 22.8 m -45.67 -38.11 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 178.532 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -134.59 113.29 11.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 177.662 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.772 HD13 ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.33 -22.8 65.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 -175.434 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.401 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -67.83 -15.85 63.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -178.704 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -105.12 -5.23 20.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -174.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.616 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -54.01 145.16 17.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 7.4 tpp180 -153.77 158.02 40.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 175.079 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.2 mt -72.0 156.85 38.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 178.003 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.5 t -90.61 167.32 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 175.345 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -59.91 -30.95 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -176.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.45 -39.85 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -75.49 -47.59 26.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -174.463 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.665 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -63.31 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -176.136 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.51 -44.44 69.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.86 -49.25 7.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -176.232 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -60.58 -27.24 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -175.441 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.21 -40.65 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 40.8 t -55.73 -30.39 61.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.012 178.124 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.63 -28.61 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 109.361 178.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.528 ' CE1' HD21 ' A' ' 130' ' ' LEU . 42.0 m-85 -139.54 -89.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -177.298 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.06 115.86 3.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 176.246 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.98 28.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 164.9 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.196 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -134.43 135.34 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.94 173.677 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.91 102.39 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -173.59 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.05 -10.8 6.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -170.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp 62.95 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.687 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.04 126.71 10.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -178.04 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 50.0 pttt 172.17 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -177.233 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.451 ' CB ' HD21 ' A' ' 97' ' ' LEU . 86.7 m95 -71.1 161.2 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.71 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -92.83 -3.63 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -175.615 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 97' ' ' LEU . 23.1 pttt -131.96 155.63 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -90.46 -38.93 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 -179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.28 85.89 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 94' ' ' LYS . 36.1 mt -86.14 162.0 18.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -176.441 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.36 154.14 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.445 175.434 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -143.94 173.32 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 175.069 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -161.86 145.89 12.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -176.236 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -103.27 113.53 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 174.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.07 -41.85 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -174.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -160.16 176.07 12.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.23 -172.97 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -175.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.27 142.85 26.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 -176.793 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 64.42 6.04 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 178.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -158.16 -48.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -98.22 160.65 27.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.243 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.96 162.91 36.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.005 171.062 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -51.08 57.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -172.53 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.56 -38.2 66.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.211 -179.691 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.32 87.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.229 -175.651 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.7 t -64.86 -49.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -176.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.89 -35.46 71.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 179.413 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.37 -44.59 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.36 -45.11 54.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.058 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 20.1 t -69.35 -54.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.436 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -45.01 -35.67 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 176.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 8.5 mttp -75.07 -53.19 9.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.4 -34.61 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.08 . . . . 0.0 109.277 -178.762 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 18.2 mt -69.74 -50.75 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -177.413 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -59.65 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -52.47 -35.37 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -178.212 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.72 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 76.0 m95 -90.25 -35.65 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 107.951 -177.477 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -55.43 -22.59 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.59 -18.72 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.234 -174.359 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.502 HG23 HG21 ' A' ' 242' ' ' ILE . 17.2 m -127.31 19.24 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.326 -174.158 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.2 p -145.2 158.91 50.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 171.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.39 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.571 1.827 . . . . 0.0 110.964 174.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' A' ' 246' ' ' TYR . 29.9 mt -65.49 155.57 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -171.623 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 p -134.34 134.61 41.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 173.766 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.47 124.9 50.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -173.629 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -112.54 143.87 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 154.26 19.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -177.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.5 mt -136.09 154.57 50.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 178.035 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -115.85 -1.87 12.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 177.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.88 170.15 22.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.3 -169.6 54.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 177.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.0 109.7 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 -178.766 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.58 164.11 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 178.17 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.93 -46.4 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.77 90.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.97 97.75 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.38 136.66 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -176.707 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -149.02 160.81 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -175.228 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 10.7 m-85 -119.71 148.93 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 174.786 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.92 141.95 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.95 159.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 170.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 51.32 -164.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 135.29 53.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.4 p-80 -135.97 22.45 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.592 -165.39 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.2 -87.53 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.206 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.46 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.44 -168.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 -177.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -94.75 75.05 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -176.622 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.85 80.69 3.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.573 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.11 39.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.944 -170.37 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.46 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.996 -173.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.44 -154.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 178.226 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.46 HG12 ' CE1' ' A' ' 157' ' ' PHE . 16.8 t -36.36 115.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.6 -39.86 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.23 146.76 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -136.75 170.52 15.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.61 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.75 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.59 178.01 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.247 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -131.93 145.3 51.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.051 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -54.27 179.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 171.496 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.193 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 3.0 m120 -88.16 147.1 25.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -177.504 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 95.08 -23.68 32.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 -178.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.27 158.75 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.244 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.69 116.54 21.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 175.431 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -100.72 123.92 45.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.641 -176.024 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 28.3 m-85 -112.0 167.33 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 181' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 18.7 t0 -88.45 137.22 32.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 175.003 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 178.204 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.2 -26.56 56.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -177.118 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.8 152.64 29.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -177.894 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.78 155.98 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.343 177.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -144.92 152.53 40.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 108.018 179.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.2 p -140.01 -174.9 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 177.075 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -118.29 16.43 13.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.368 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -155.44 -165.34 1.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.5 p -94.69 49.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.7 t -109.61 -28.69 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 173.592 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.19 -141.9 4.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 175.867 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.8 m -86.77 87.51 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.381 173.794 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -48.64 109.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.95 -54.88 42.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -176.261 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -48.0 -47.59 33.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -176.185 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -41.97 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.227 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 75.3 t -76.04 -32.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.71 -44.1 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 178.773 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.634 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.85 -42.41 97.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -178.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -62.74 -51.49 66.95 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 121.14 -0.975 . . . . 0.0 110.814 178.692 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -55.31 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -31.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -177.267 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.85 -46.33 83.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.956 177.064 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.0 m-70 -67.37 -36.45 81.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.626 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 t -62.75 -38.94 92.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.919 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.0 -101.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -173.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -151.09 27.17 1.0 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.488 HD12 ' CH2' ' A' ' 124' ' ' TRP . 92.1 mt -117.92 172.47 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 109.329 173.043 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.552 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 11.9 m-85 -153.15 -71.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.947 177.704 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -145.25 139.29 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.618 -174.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -113.81 173.42 6.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.066 -176.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.39 9.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 35.5 t30 -56.74 147.39 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 5.3 p -96.67 -17.62 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -177.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.05 -5.49 56.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 179.181 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.18 -177.24 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.511 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -102.38 -43.85 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -176.32 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 81.8 mmm -69.5 -9.44 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -175.239 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.61 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 14.5 t80 -44.56 141.66 2.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 173.198 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -167.46 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.71 133.77 43.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -46.98 147.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 -177.123 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -141.94 152.81 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.561 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 46.3 p -159.77 133.95 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.1 tp -95.78 154.04 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.006 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.0 p -47.6 -37.38 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 178.48 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -131.0 106.64 8.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.787 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.256 -178.613 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 230' ' ' THR . 1.6 p -74.67 -10.89 59.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 -178.204 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -111.34 -5.28 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -49.36 147.45 3.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.871 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.0 mtm180 -155.19 154.25 31.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 176.342 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.72 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 20.3 mt -71.5 142.89 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 176.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 37.1 t -90.9 168.95 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 176.005 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -30.77 67.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 110.277 -178.029 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.54 -40.64 92.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.32 -49.38 56.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.371 -177.275 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.771 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.18 -35.33 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -176.589 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 240' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 239' ' ' ILE . 2.5 t-20 -37.13 -44.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -84.25 -47.35 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -176.65 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -61.55 -17.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -174.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -95.36 -41.81 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 179.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 34.9 t -62.19 -35.94 80.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -178.655 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.7 mt -86.08 -15.3 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -177.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.434 ' CE1' HD21 ' A' ' 130' ' ' LEU . 13.8 m-85 -151.8 -93.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.434 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.08 125.82 1.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.68 26.5 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.445 1.761 . . . . 0.0 111.018 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.03 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 179.062 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -125.63 -139.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -175.806 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.819 ' CD2' ' HB2' ' A' ' 169' ' ' ALA . 2.4 m-85 -170.04 171.01 3.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -175.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.08 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.96 -11.65 7.76 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -171.49 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.51 HG22 ' HG2' ' A' ' 91' ' ' LYS . 7.6 mt 64.07 114.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.02 122.55 7.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.595 1.84 . . . . 0.0 111.001 -179.168 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 89' ' ' ILE . 14.1 ptpt 163.89 124.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -173.247 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -71.37 126.96 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 174.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.87 -13.6 56.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -176.597 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -102.9 158.85 15.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 176.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -94.75 -30.37 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 178.163 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -82.33 98.91 9.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 130' ' ' LEU . 20.1 mt -97.27 151.04 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -177.242 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.55 146.54 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 172.555 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -138.85 171.58 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 111.032 177.145 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -164.88 148.89 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.25 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.54 113.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 172.527 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.19 -41.87 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -174.708 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -155.16 168.41 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.651 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.52 178.2 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -177.442 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.11 144.54 28.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -176.67 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.06 6.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -160.61 -48.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.94 158.38 31.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.01 163.59 35.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.962 170.321 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -56.18 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -172.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.18 -36.14 65.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -176.718 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.98 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -176.058 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.438 HG13 HD21 ' A' ' 195' ' ' LEU . 52.0 t -66.01 -53.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -178.233 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.47 55.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.273 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.0 t -59.12 -47.11 86.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.32 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.41 -38.44 63.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -176.479 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.0 t -78.76 -50.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -47.88 -29.19 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 174.076 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' SER . 12.1 mttm -90.41 -50.78 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.253 -176.663 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.06 -45.82 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -178.484 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.7 mt -55.42 -52.31 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -58.11 -40.14 80.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -176.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.22 -32.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -178.141 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.8 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.6 m95 -91.62 -32.89 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.045 -177.74 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.77 -23.81 19.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 177.453 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.01 -19.09 52.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -174.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 10.9 m -128.36 17.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -172.255 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.2 p -144.99 160.3 46.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 170.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.68 20.28 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 174.484 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 246' ' ' TYR . 77.4 mt -65.69 157.09 31.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -170.176 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.6 p -131.01 157.82 41.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -128.65 134.74 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -175.292 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -125.9 151.82 46.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.006 179.523 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.3 149.89 21.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.289 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.3 mt -130.66 100.24 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 178.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -54.36 -26.17 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.76 160.43 42.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.339 175.721 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.44 -175.61 30.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.41 147.96 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 0.712 . . . . 0.0 110.276 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.98 155.54 46.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -62.48 -41.84 99.08 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.4 mt -115.47 83.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.55 87.51 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.087 -178.754 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.82 134.38 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 -175.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 166.32 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -174.355 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -125.36 155.99 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 177.643 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.6 142.63 11.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.373 177.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.5 m -105.97 -177.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 174.099 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 150' ' ' GLU . 9.1 ptm180 40.47 -160.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 176.716 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.442 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 3.9 tm-20 -64.41 112.05 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 176.509 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.2 p-80 -109.77 50.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.576 176.494 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.35 -169.51 6.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -177.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.55 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 1.3 m-20 60.05 178.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 109.356 176.79 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.1 t80 -86.94 -6.5 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 -173.002 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -117.73 94.5 46.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 179.261 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -176.83 3.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.468 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 173.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 45.47 -153.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.313 178.844 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.468 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -38.29 122.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 176.539 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.47 -36.49 8.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 175.84 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.54 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 2.0 p-80 -132.55 158.09 43.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 178.875 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -147.27 161.82 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -178.206 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.487 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 46.6 m-85 -136.88 163.87 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -173.068 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.819 ' HB2' ' CD2' ' A' ' 86' ' ' PHE . . . -57.38 176.03 0.24 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.775 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.108 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 175.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' ILE . . . . . 0.55 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.1 m-80 -86.87 155.67 20.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -176.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.52 -37.32 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.05 -179.131 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 29.0 t0 -75.58 148.67 38.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -119.75 119.71 34.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 179' ' ' HIS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 22.6 m170 -88.82 127.85 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -176.439 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 16.4 m-85 -112.0 161.77 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 173.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -87.72 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 174.38 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.88 -26.88 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.93 -26.77 59.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.295 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.05 156.52 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.2 tt0 -73.62 155.57 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 176.909 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.404 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 80.7 m95 -146.26 154.36 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.588 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -136.36 174.35 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 175.637 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -112.14 17.95 19.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 174.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -163.52 -167.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -178.31 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.7 p -89.08 68.0 8.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.409 -176.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.5 t -144.63 21.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 176.162 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.588 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 178.55 -142.86 5.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.9 m -84.72 71.68 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 110.406 171.842 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 193' ' ' THR . 24.5 t-20 -39.39 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -176.334 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 113' ' ' VAL . 51.9 tp -56.13 -49.42 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 -171.748 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.538 ' CD2' HD11 ' A' ' 229' ' ' LEU . 1.2 t80 -52.64 -40.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -175.012 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 218' ' ' LEU . 1.0 OUTLIER -57.56 -39.97 77.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 178.36 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.6 -30.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.4 ' O ' HD13 ' A' ' 203' ' ' ILE . . . -62.65 -48.61 78.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.207 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.51 -43.06 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -177.763 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.31 -49.73 76.7 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.124 -0.985 . . . . 0.0 110.833 175.003 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.3 -61.39 2.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 177.202 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 199' ' ' ALA . 1.5 mp -46.91 -40.82 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.01 -53.62 22.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 69.2 m-70 -61.53 -38.06 86.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 109.653 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.9 t -63.13 -39.46 94.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 -178.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.11 -70.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -178.25 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.32 45.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.505 HD12 ' CH2' ' A' ' 124' ' ' TRP . 8.5 mt -115.72 163.67 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 175.465 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 20.5 m-85 -156.32 166.81 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 174.085 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 210' ' ' PHE . 50.6 m170 -38.88 122.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.566 -173.061 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 212' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 30.3 t -80.96 -89.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -175.678 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 171.7 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -176.774 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.07 147.98 50.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 24.6 p -82.27 -27.05 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -178.585 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -12.62 60.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -177.583 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.716 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -82.12 143.54 31.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -77.87 -11.73 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 174.9 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 219' ' ' MET . . . . . 0.485 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.2 tpt -80.47 -13.68 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.181 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.552 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.5 t80 -55.19 142.88 56.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 178.419 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.05 51.93 2.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -178.277 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.11 138.56 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 175.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -71.57 151.8 43.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 177.378 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -169.72 122.92 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.2 p -96.62 133.96 40.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 227' ' ' THR . 44.9 tp -90.49 137.82 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 178.265 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 227' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 226' ' ' LEU . 67.2 p -33.57 -61.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 100.52 7.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 176.591 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.713 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.58 -18.73 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -177.3 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 230' ' ' THR . . . . . 0.43 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -60.2 -11.4 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -177.874 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -116.45 -5.89 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 -178.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.12 150.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -175.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 153.31 31.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.177 . . . . 0.0 110.319 179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.8 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 7.7 mt -77.06 135.72 38.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 176.318 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 235' ' ' SER . . . . . 0.716 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 27.1 p -67.18 157.35 33.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 177.528 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -30.12 40.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -178.599 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -42.31 83.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -70.44 -44.65 67.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.394 -176.189 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -63.43 -37.2 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -177.513 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.34 -44.85 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.523 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.84 7.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -175.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -62.5 -21.58 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -175.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -85.92 -45.65 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 24.1 p -51.09 -33.34 25.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.046 -177.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.13 -32.95 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.741 ' CE2' HD11 ' A' ' 130' ' ' LEU . 28.1 m-85 -129.81 -93.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -178.735 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.7 117.02 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.167 . . . . 0.0 110.988 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 177.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.1 32.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.042 179.137 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.7 p -127.57 -157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 178.548 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.584 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -144.66 174.14 3.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -176.007 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.04 82.1 2.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 177.264 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.96 -11.79 4.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.143 . . . . 0.0 111.031 -173.232 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt 66.94 113.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.596 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.93 128.95 11.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.551 1.817 . . . . 0.0 111.065 178.442 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 pttt 175.59 120.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -178.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -69.65 148.31 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 107.996 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -89.07 -1.38 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -174.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 149.35 47.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 178.334 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -85.9 -29.41 23.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -73.46 80.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 130' ' ' LEU . 67.6 mt -79.64 154.92 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -178.005 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.45 152.03 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 175.173 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -142.71 174.57 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -165.4 152.47 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -178.241 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mm -106.42 115.47 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 172.312 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.72 -38.91 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -174.337 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -159.21 168.04 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.565 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -122.42 179.24 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -176.056 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.81 142.52 24.97 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -177.855 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -75.01 66.84 6.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.373 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -161.56 -48.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.6 mt -102.29 157.0 34.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.03 165.52 31.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 170.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -62.94 -61.24 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -175.152 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.94 -37.79 33.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -176.652 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.98 -45.55 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -175.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.05 -53.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -178.311 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.86 -33.81 57.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.666 1.229 . . . . 0.0 109.305 -178.229 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -62.72 -47.99 81.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.83 -43.26 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.451 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 18.0 t -71.31 -54.32 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -44.48 -35.04 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 7.8 mttm -80.8 -49.63 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -176.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.38 -35.4 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 21.7 mt -66.95 -51.23 57.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -60.93 -38.38 85.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.706 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.05 -35.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.24 -179.232 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.759 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 64.5 m95 -88.48 -36.76 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.039 -177.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.79 -23.18 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.244 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.6 -18.89 50.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -174.504 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.557 HG23 HG21 ' A' ' 242' ' ' ILE . 13.9 m -128.87 19.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -174.365 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.9 p -144.09 158.92 54.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 170.366 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.14 21.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 175.535 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 97' ' ' LEU . 37.1 mt -63.56 156.81 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -171.815 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -134.16 134.82 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 174.351 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.86 130.6 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -174.788 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -119.0 149.85 40.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -91.71 151.97 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -178.193 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.5 mt -132.4 107.63 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 177.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -64.92 -18.4 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -178.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -160.39 166.02 30.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 174.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.28 -173.08 33.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 177.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.82 148.54 24.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.378 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.89 155.43 46.76 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.12 -35.9 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -176.685 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.55 81.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 178.27 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.74 88.73 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -178.761 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.3 133.61 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.8 p -140.58 156.25 46.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.955 -173.604 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -116.06 148.3 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.985 174.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.59 143.54 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.9 m -106.2 164.57 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 175.726 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 148' ' ' VAL . 33.7 ptt85 43.88 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 175.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.32 110.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 177.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.0 p-80 -111.65 35.26 3.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 171.823 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 78.72 -176.13 54.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -176.478 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.41 ' CB ' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER 61.9 -168.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 178.022 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.9 t80 -98.66 -1.98 39.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 -171.161 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.459 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -118.34 96.76 50.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.499 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 175.53 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.503 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 178.416 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.27 -155.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 109.28 177.7 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -36.17 121.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.729 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.01 -40.2 9.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 176.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.08 142.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -135.33 161.09 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.858 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -145.48 170.58 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.39 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 73.8 m-85 -143.57 146.66 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -175.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -46.27 167.64 0.13 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 175.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.581 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.2 m-20 -88.97 154.77 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -175.729 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.24 -32.42 4.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 178.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -74.99 162.86 28.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.539 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -131.17 118.45 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 178.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -96.3 122.21 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -174.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 175.133 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.99 134.33 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 174.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.46 -23.69 13.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.162 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 53.94 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -176.298 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -167.2 168.38 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 172.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.97 155.82 34.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -176.742 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -144.16 157.55 44.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 177.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.618 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.7 p -140.38 172.63 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.46 176.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -115.89 20.86 14.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -163.79 176.12 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 -178.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.0 p -77.22 87.86 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.392 -177.284 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.2 t -156.94 -43.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 177.412 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.618 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.01 -137.54 6.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 173.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 70.6 m -80.93 87.94 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.445 171.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.573 HD21 HD13 ' A' ' 229' ' ' LEU . 15.1 t-20 -51.88 105.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -177.772 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.18 -51.54 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 -173.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -55.46 -42.66 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -174.65 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 197' ' ' LEU . . . . . 0.616 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -59.14 -37.35 77.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 178.437 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.99 -32.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.07 87.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.803 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.38 -49.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -52.84 -50.27 64.08 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 121.119 -0.988 . . . . 0.0 110.84 177.15 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.858 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -50.93 -68.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.428 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 203' ' ' ILE . . . . . 0.412 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.2 mp -51.62 -33.17 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.72 -48.44 29.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 177.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.758 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.9 m-70 -72.05 -37.2 69.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.55 179.592 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.7 t -57.36 -42.83 82.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.43 -86.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 -176.876 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.62 37.97 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 209' ' ' LEU . . . . . 0.565 HD12 ' CH2' ' A' ' 124' ' ' TRP . 7.0 mt -109.11 164.05 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 175.226 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.3 m-85 -158.14 164.12 36.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 176.166 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -37.72 126.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.585 -171.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 28.8 m -91.44 165.89 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -75.71 -33.93 60.34 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 178.043 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.28 149.27 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.235 178.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 215' ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 68.1 p -105.43 -12.34 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.69 -4.91 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.5 163.81 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -177.534 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.4 OUTLIER -80.0 -16.54 54.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 177.125 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.41 -12.31 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 -177.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.533 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.3 t80 -60.72 132.75 91.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.397 1.061 . . . . 0.0 110.999 178.763 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.97 63.04 5.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 111.005 -179.218 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.0 132.47 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.99 144.93 53.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.14 123.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.663 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.2 p -105.68 134.24 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.1 tp -82.76 152.52 25.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 178.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.6 t -51.77 -27.8 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 178.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.23 106.53 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.213 176.795 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.68 -18.44 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.143 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 t -62.83 -6.93 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -113.63 -6.78 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -178.128 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.664 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.88 143.8 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -176.435 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 233' ' ' ARG . . . . . 0.473 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -152.84 153.34 32.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 177.308 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.759 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 6.9 mt -76.0 134.25 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 176.328 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.6 p -67.49 169.88 8.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -63.03 -25.63 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -178.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.12 -41.03 97.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.24 -48.54 56.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -175.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.729 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.43 -41.81 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -176.444 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -45.81 45.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.89 -47.97 8.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -175.35 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -64.34 -20.43 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -175.155 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -91.28 -36.74 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 20.3 m -56.49 -33.04 65.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -177.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 90' ' ' PRO . 5.1 mt -94.3 -14.21 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -176.092 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.521 ' CE2' HD11 ' A' ' 130' ' ' LEU . 44.8 m-85 -138.81 -93.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 177.786 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.15 113.72 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 172.891 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.96 28.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 178.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 179.251 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.2 p -147.36 -75.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -175.233 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 174.16 167.91 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 173.886 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.99 111.94 3.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.715 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.25 -11.69 63.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.1 mt 49.5 71.02 1.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.05 13.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 170.462 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -159.39 149.96 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -176.145 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.49 135.44 56.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.019 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.88 -6.61 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -178.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -110.56 151.38 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 p -90.94 -32.46 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.421 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -74.78 76.17 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.54 HD11 HD13 ' A' ' 130' ' ' LEU . 76.7 mt -75.28 156.24 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -177.728 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.12 156.45 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 175.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -149.78 170.84 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 178.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -165.73 137.43 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -176.156 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.0 mp -100.56 118.21 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 175.06 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.7 -40.81 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.214 -175.017 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -152.43 172.19 16.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -178.287 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -128.23 -172.36 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.925 -175.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.76 143.29 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -176.607 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.02 62.87 5.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 178.881 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.71 -48.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 108' ' ' LEU . 20.7 mt -103.93 158.86 31.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.05 167.37 27.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 172.271 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -62.6 -62.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 -172.061 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.07 -35.16 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -175.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.01 -39.1 93.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -176.369 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.44 -51.2 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 -179.263 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.77 -33.09 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -60.75 -46.43 90.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.36 -39.52 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -178.42 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.25 -51.74 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.104 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -45.24 -33.03 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.0 mttm -85.97 -53.62 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -175.717 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.13 -41.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -177.761 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.92 -53.5 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -33.27 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -173.89 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.579 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.16 -32.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.415 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.609 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 85.2 m95 -86.76 -35.4 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.84 -26.56 36.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.54 -18.37 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 110.254 -176.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.641 HG23 HG21 ' A' ' 242' ' ' ILE . 8.4 m -131.04 17.2 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -173.171 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 77.7 p -144.9 159.71 49.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.59 21.47 Favored 'Trans proline' 0 C--N 1.362 1.261 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 246' ' ' TYR . 48.8 mt -61.56 153.75 26.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -172.398 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -134.5 134.57 41.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 173.405 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.83 141.9 37.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 111.018 -172.53 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -131.39 161.15 33.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -109.1 152.38 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.8 mt -131.67 136.75 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.337 178.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -88.89 -9.01 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -155.12 170.82 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 177.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.26 -169.4 49.61 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 177.025 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.69 106.81 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 110.304 -178.592 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.52 163.18 26.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -43.38 97.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -178.405 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.6 mt -113.74 88.64 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.17 92.15 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.92 146.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -178.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 m -154.07 169.19 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -176.074 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 19.0 m-85 -127.31 149.55 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 176.237 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.03 146.31 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 183' ' ' ASP . 4.3 m -105.66 153.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 176.026 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 45.6 -163.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 178.381 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.45 122.8 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 42.3 p-80 -131.87 37.53 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -171.776 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 104.67 -58.48 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.577 1.173 . . . . 0.0 110.987 172.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.484 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.4 p30 -73.6 175.34 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.743 . . . . 0.0 109.283 -173.473 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.8 t80 -83.43 -0.37 49.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -174.093 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.48 95.32 22.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 173.433 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -170.63 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.429 1.752 . . . . 0.0 110.958 -177.575 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.195 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 52.44 -161.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 0.794 . . . . 0.0 109.377 178.775 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 157' ' ' PHE . 19.3 t -44.87 120.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.8 mt -88.84 -42.04 12.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.95 139.7 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 177.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 1.7 p-80 -130.97 163.69 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 -176.024 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.884 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -155.35 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.444 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER -142.95 145.07 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -176.805 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -50.54 173.91 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 173.838 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.945 -176.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 4.2 m-20 -88.64 157.1 18.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -176.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.87 -27.33 8.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 165.78 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 0.702 . . . . 0.0 109.356 -177.868 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.553 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -136.56 122.22 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -106.4 121.96 45.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.561 -175.908 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 30.8 m-85 -103.84 167.77 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 174.657 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.34 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -12.51 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.367 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 148' ' ' VAL . 0.3 OUTLIER -92.15 23.93 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -177.489 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -143.04 156.77 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.239 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.0 tt0 -73.47 156.25 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.423 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 186' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 87.4 m95 -143.51 155.73 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 107.995 177.527 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.524 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 0.1 OUTLIER -145.92 169.66 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 176.583 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 8.18 44.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 178.564 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.64 -164.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.7 p -96.22 57.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -176.491 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.7 t -124.8 10.59 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 173.234 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.524 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -170.52 -143.12 3.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 m -83.76 93.98 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 170.206 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 194' ' ' ASN . . . . . 0.548 HD21 HD13 ' A' ' 229' ' ' LEU . 10.9 t-20 -54.14 109.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -176.628 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.4 -57.73 6.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -173.404 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 196' ' ' PHE . . . . . 0.589 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -52.09 -46.4 65.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 111.06 -174.047 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -35.77 81.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -177.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.66 -31.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 199' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -58.49 -39.64 80.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -178.62 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 200' ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' ' 120' ' ' ALA . . . -60.71 -47.67 85.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.31 -49.54 74.02 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 121.12 -0.988 . . . . 0.0 110.898 177.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 202' ' ' GLU . . . . . 0.884 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -52.33 -61.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 177.713 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.08 -35.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -174.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.11 -43.99 83.54 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 178.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 205' ' ' HIS . . . . . 0.881 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 44.2 m-70 -65.04 -35.26 80.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.593 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.3 m -71.45 -31.44 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -177.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.56 -99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 208' ' ' GLY . . . . . 0.418 ' O ' HD11 ' A' ' 245' ' ' LEU . . . -154.13 26.53 0.71 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -175.735 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.91 169.29 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 173.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 210' ' ' PHE . . . . . 0.536 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 9.2 m-85 -146.01 -57.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 172.85 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 210' ' ' PHE . 7.1 m-70 -149.23 123.51 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -178.097 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 79.6 p -78.94 -105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -177.291 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -179.55 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -176.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.7 149.9 29.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 215' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 75.6 p -86.56 -27.59 23.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -176.621 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.36 -3.31 58.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -176.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.97 -153.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -126.99 -50.2 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -174.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.3 mmm -66.04 -10.72 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -178.129 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 220' ' ' TYR . . . . . 0.521 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.8 t80 -45.75 133.21 6.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.916 174.71 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 221' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.23 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 109.305 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.5 144.1 54.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -145.04 123.96 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 -177.745 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 78.5 p -107.41 177.32 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 178.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.5 tp -155.25 146.17 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -51.14 -32.88 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.56 108.76 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 177.076 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.24 -18.03 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.222 -178.046 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -8.79 3.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.46 -6.02 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -176.602 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -55.89 143.27 32.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 111.03 -177.735 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -156.91 147.95 21.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 234' ' ' LEU . . . . . 0.609 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 40.2 mt -68.5 125.25 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 174.309 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 59.4 m -70.16 162.44 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.02 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.11 -28.51 40.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.31 -41.96 98.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.46 -47.99 76.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -178.372 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -67.91 -36.31 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -175.036 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -49.23 -44.67 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.48 3.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -177.137 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.6 tp -53.91 -44.77 62.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 109.335 -173.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -71.63 -26.52 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -176.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 37.2 t -68.94 -29.15 67.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 177.292 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 245' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 208' ' ' GLY . 1.0 OUTLIER -80.33 -28.34 38.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 176.217 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 246' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 130' ' ' LEU . 37.5 m-85 -142.0 -90.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -176.339 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.48 119.16 3.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 177.062 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.22 27.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.45 7.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 178.223 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.748 ' N ' ' HG ' ' A' ' 212' ' ' SER . 33.3 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.528 0.204 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -156.97 179.19 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.7 p -116.86 -126.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.643 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 178.28 170.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -175.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.96 85.21 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.58 1.832 . . . . 0.0 111.008 177.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.4 -7.64 5.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.1 mt 67.15 115.96 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.476 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -75.0 129.48 12.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.2 pttp 176.91 123.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -74.47 149.82 40.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -84.59 -4.4 58.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -134.05 148.23 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.1 p -85.87 -34.77 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.83 85.36 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.74 162.27 18.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 150.38 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.3 p90 -143.49 169.98 16.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -166.04 138.09 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.45 114.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.3 t -73.82 -40.52 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -147.48 163.54 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.47 -172.68 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.75 143.2 28.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 -178.398 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.0 62.42 5.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.75 -48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.9 mt -103.77 159.91 27.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.11 25.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 171.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.74 -34.47 52.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.88 -45.34 86.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.35 -52.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -53.72 -33.44 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -42.25 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.1 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 25.4 t -68.79 -55.1 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.89 -34.8 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.98 -50.86 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.24 -41.82 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 25.4 mt -61.62 -53.05 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -57.34 -40.45 78.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -52.29 -35.35 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.672 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.6 m95 -93.22 -30.79 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.11 -23.46 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.45 -19.36 53.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 242' ' ' ILE . 6.5 m -129.73 17.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -171.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -145.92 160.54 43.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 168.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.14 20.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 111.011 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' A' ' 246' ' ' TYR . 86.3 mt -60.34 155.04 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -170.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.7 p -132.94 164.58 26.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -136.26 157.74 46.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -173.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -154.15 145.38 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -96.29 148.81 22.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.4 mt -125.74 111.15 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -55.48 -25.5 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -155.02 160.23 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.14 -172.44 17.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -105.77 102.9 12.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.343 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.81 161.95 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.25 -46.89 81.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.47 88.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.4 mtt -91.14 87.38 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.19 123.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -142.99 125.3 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 4.8 m-30 -85.04 160.87 19.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.81 141.51 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.2 m -96.43 164.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 173.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 41.35 -149.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.94 141.78 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.575 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 52.3 p-80 -156.66 48.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 84.63 179.93 51.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 46.04 -160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.57 75.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.575 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.31 67.59 5.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 176.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.72 2.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -168.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.467 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.5 m-85 -52.39 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.23 103.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 57.17 -171.76 2.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 110.97 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 67.89 -165.67 44.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.046 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 51.34 -152.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.467 HG12 ' CE1' ' A' ' 157' ' ' PHE . 41.0 t -37.08 116.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.592 HD21 ' H65' ' A' ' 256' ' ' INH . 9.6 mt -89.72 -40.1 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 141.01 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -127.55 161.03 29.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.67 155.64 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -111.16 167.43 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.29 168.69 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 176.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -74.96 145.42 31.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.03 -178.63 29.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.64 41.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 72.51 -132.79 18.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 173.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -32.09 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -69.69 146.47 51.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.54 -30.86 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.93 167.84 21.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.76 . . . . 0.0 109.332 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.36 131.05 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 3.8 m170 -116.1 134.8 54.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.9 m-85 -102.71 -178.06 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -99.86 111.38 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.72 -17.79 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.42 ' N ' HG12 ' A' ' 148' ' ' VAL . 12.9 t0 -89.74 49.91 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.51 151.12 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -74.24 154.72 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -142.85 155.88 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 -176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.565 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 24.4 p -144.61 172.53 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -112.87 19.45 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.32 -179.79 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.2 p -75.21 84.34 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.7 t -156.58 -43.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.565 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.4 -135.4 8.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 173.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 194' ' ' ASN . 91.9 m -99.56 78.63 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.387 167.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 229' ' ' LEU . 16.0 t-20 -33.77 115.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -173.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.36 -58.41 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.46 -46.56 26.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.603 ' CD2' HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -53.78 -40.99 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.28 -30.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -70.5 -38.5 74.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.863 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.32 -22.76 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -76.41 -59.13 2.9 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 121.132 -0.98 . . . . 0.0 110.824 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -52.81 -50.27 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.476 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -53.81 -36.4 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -178.185 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.8 -44.45 70.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 43.9 m-70 -61.79 -38.82 89.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.645 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 41.6 m -68.54 -36.29 78.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.11 -48.74 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 134.21 56.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.862 HD22 HD12 ' A' ' 242' ' ' ILE . 1.5 pt? -163.24 145.86 10.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 171.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 211' ' ' HIS . 26.8 m-85 -120.0 -173.36 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 49.0 m170 -40.03 138.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.578 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.748 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -108.03 176.4 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -178.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -103.49 56.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 5.8 t-20 -154.82 145.91 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.5 t -90.12 -25.99 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.93 -14.12 59.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.92 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -15.65 30.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -177.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.601 ' N ' HD23 ' A' ' 218' ' ' LEU . 91.7 mmm -80.05 -8.81 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.1 t80 -58.9 145.0 80.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.04 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.09 134.46 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -53.64 143.07 21.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -144.35 124.22 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 6.5 m -117.62 177.33 4.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.68 149.68 33.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.9 t -47.28 -35.73 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -142.52 98.07 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.17 -18.43 65.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -8.22 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.5 mmt-85 -116.34 -6.09 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.674 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -44.57 152.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -175.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -157.21 156.47 32.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.742 HD11 ' CG1' ' A' ' 123' ' ' VAL . 7.5 mt -78.97 142.18 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 159.03 31.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -54.28 -30.24 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -44.04 83.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -50.78 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.811 HG23 ' OE1' ' A' ' 243' ' ' GLN . 2.1 mp -57.86 -38.94 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 239' ' ' ILE . 49.7 t-20 -38.34 -52.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.15 -49.2 6.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.862 HD12 HD22 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -56.52 -27.36 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 -173.319 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 243' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 239' ' ' ILE . 0.0 OUTLIER -93.63 -40.13 10.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 8.0 m -58.79 -25.08 62.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 90' ' ' PRO . 13.6 mt -91.56 -16.37 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.497 ' CE1' HD21 ' A' ' 130' ' ' LEU . 28.6 m-85 -143.72 -94.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 101.52 115.15 3.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.87 28.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.94 32.34 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.2 7.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.32 144.27 55.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -66.36 -53.27 31.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 254' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 255' ' ' THR . 0.7 OUTLIER -151.44 138.11 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 255' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 254' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.993 -1.479 . . . . 0.0 110.414 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.747 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.573 0.225 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.98 170.31 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.345 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -119.69 -114.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.86 170.38 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -178.145 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.12 81.66 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.51 -9.33 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -173.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' HG2' ' A' ' 91' ' ' LYS . 43.0 mt 66.2 112.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.41 10.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG2' HG22 ' A' ' 89' ' ' ILE . 12.2 ptpt 172.4 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -68.65 152.5 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 108.049 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -87.33 -4.79 59.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.54 143.39 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -86.88 -38.19 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -75.09 78.2 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.563 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.48 154.9 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.75 145.6 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 172.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.2 p90 -138.86 171.98 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -163.26 147.65 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -102.33 118.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -80.88 -40.36 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -152.03 166.33 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.49 156.38 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 1.3 t -79.79 143.14 57.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.9 64.23 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.75 -48.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 108' ' ' LEU . 25.6 mt -101.07 158.13 32.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.03 169.43 22.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -64.77 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -37.98 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.11 -45.47 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -175.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -53.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -34.44 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -57.46 -45.46 84.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.93 -40.19 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 99' ' ' TYR . 4.9 t -77.02 -52.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.369 1.043 . . . . 0.0 109.264 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -46.62 -30.07 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.2 mttm -88.84 -51.56 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.49 -39.74 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 76.7 mt -66.06 -53.13 42.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -35.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.9 -35.96 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -177.781 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.7 m95 -89.79 -29.7 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.007 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.49 -23.1 24.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.72 -19.61 51.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.553 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -130.61 16.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -171.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.9 p -144.66 159.25 51.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 171.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.76 20.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 246' ' ' TYR . 67.9 mt -59.13 154.56 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -170.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.8 p -135.38 134.48 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.24 145.22 40.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -141.81 146.37 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -95.25 150.96 19.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.9 mt -126.4 100.69 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.347 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -49.62 -30.18 8.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.33 163.36 36.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.357 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.27 -169.71 30.78 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -94.7 147.77 22.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.08 162.15 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.37 -42.79 98.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.92 94.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.2 mmt -90.8 82.31 5.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.09 131.4 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -173.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -153.05 142.22 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.1 m-30 -101.94 160.63 14.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.76 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.5 m -93.95 167.37 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.8 OUTLIER 35.66 -134.91 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 176.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.7 141.61 56.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.614 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 56.7 p-80 -166.41 43.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 176.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.56 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 89.3 179.8 45.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER 43.59 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 177.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 154' ' ' PHE . 2.7 p90 -131.0 80.69 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 111.023 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.614 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.02 77.5 5.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 115.32 4.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.812 . . . . 0.0 111.026 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.755 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.3 m-85 -79.2 132.0 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 157' ' ' PHE . 12.5 p-10 164.83 117.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 146.91 169.5 14.55 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 95.15 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . 91.78 -96.11 2.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.72 -162.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.755 HG12 ' CE1' ' A' ' 157' ' ' PHE . 38.2 t -34.26 112.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 170.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.14 -40.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.9 2.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.59 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 7.4 p-80 -127.65 163.37 24.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -161.6 157.87 25.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -113.53 175.28 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.732 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -68.59 172.85 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.732 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 -174.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 178.37 167.86 36.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 161.99 37.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 75.86 -120.48 5.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -17.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 0.802 . . . . 0.0 109.292 -173.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -85.79 163.12 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.52 -37.73 2.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.7 t0 -72.3 152.46 42.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.302 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -120.45 139.12 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.384 1.052 . . . . 0.0 109.378 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -121.06 136.25 55.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.619 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 30.0 m-85 -109.93 -178.92 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -95.12 134.79 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.86 -20.66 14.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.46 51.56 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -163.98 153.5 14.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 56.8 tp60 -74.38 154.99 38.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.264 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.501 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 95.2 m95 -143.72 156.68 44.6 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.667 HG21 ' HA3' ' A' ' 192' ' ' GLY . 31.7 p -134.56 163.47 29.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -92.05 -24.1 19.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -134.42 -172.03 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.3 p -75.33 69.66 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.447 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.1 p -135.29 13.18 3.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 110.398 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.667 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 175.59 -139.01 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 27.6 m -84.01 87.15 7.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.428 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.65 114.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.84 -51.47 55.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -51.22 -54.39 26.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 -178.144 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.3 OUTLIER -57.46 -34.87 69.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -177.674 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.26 -31.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.78 -34.1 74.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -174.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.811 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -75.05 -59.02 2.93 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 121.202 -0.936 . . . . 0.0 110.835 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 203' ' ' ILE . 0.9 OUTLIER -53.23 -49.72 66.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.479 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.5 OUTLIER -54.28 -39.8 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -178.669 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.86 -41.7 52.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.642 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 87.8 m-70 -64.28 -42.12 96.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.644 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.7 t -64.61 -31.68 73.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.25 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -162.61 34.38 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.936 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 242' ' ' ILE . 13.7 mt -126.75 177.33 6.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.607 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -152.74 -68.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.928 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 210' ' ' PHE . 8.7 m-70 -148.1 134.78 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.531 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 7.0 m -91.36 -99.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.459 1.1 . . . . 0.0 110.022 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.81 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.209 -176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.6 148.32 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.8 t -89.71 -21.84 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.55 -13.57 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.93 168.59 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -98.86 -16.63 18.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 177.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 0.0 OUTLIER -81.87 -15.34 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -177.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.541 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 31.9 t80 -47.81 140.63 8.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.541 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.96 50.75 2.59 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 2.5 tp -168.04 150.55 5.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.54 149.9 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -158.56 123.12 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 149.66 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.055 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.4 tp -123.52 128.73 50.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 227' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 226' ' ' LEU . 27.5 m -34.72 -57.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -98.48 91.23 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -74.03 -18.34 60.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -174.599 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.409 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -61.98 -7.0 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 -177.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 229' ' ' LEU . 29.7 mtt-85 -114.72 -5.96 12.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -52.35 144.34 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -177.33 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.489 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 6.4 ttt180 -154.49 155.68 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.7 mt -72.02 133.95 45.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.7 p -70.72 168.73 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -62.08 -27.84 69.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.11 -35.65 67.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -50.8 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.667 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -59.16 -35.11 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.56 -49.0 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.58 -52.86 4.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.58 -46.33 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.227 -174.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -27.7 59.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -174.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -67.55 -38.2 83.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.37 -40.1 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.402 ' CE2' HD11 ' A' ' 130' ' ' LEU . 43.9 m-85 -112.26 -90.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.92 112.81 2.76 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.51 26.83 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 177.86 8.05 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 110.925 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.31 162.43 29.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 42.4 t -151.63 76.95 7.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -75.4 162.9 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.03 -1.462 . . . . 0.0 110.371 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.538 ' H48' HD11 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 34.7 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -64.58 168.01 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -130.41 134.57 47.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.394 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.69 170.8 0.27 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.65 6.72 12.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.6 mt 55.89 96.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.289 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt 172.56 123.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -65.08 156.19 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -94.65 -4.1 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 110.233 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -123.38 150.6 43.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.0 p -89.93 -30.7 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.9 74.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.58 159.13 30.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.251 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.93 149.39 50.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -139.88 173.47 11.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -165.42 146.25 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -101.59 115.96 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.94 -40.48 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -175.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -157.95 171.52 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -123.75 -170.74 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -116.01 143.89 31.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -177.314 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 67.46 5.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -162.63 -47.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 108' ' ' LEU . 21.4 mt -104.85 158.36 32.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.99 169.01 23.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 171.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.81 -60.27 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -51.12 -35.63 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.58 -45.97 87.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.23 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.61 -51.14 60.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.11 -34.59 63.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -60.78 -46.86 88.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.78 -40.56 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.12 -52.1 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.36 -30.11 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -86.74 -53.46 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.32 -45.49 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.56 -52.62 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.44 -35.3 77.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.36 -34.83 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -178.264 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.5 m95 -87.19 -33.25 19.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.77 -24.25 34.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.44 -18.23 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.63 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -132.88 21.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -171.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.491 ' CG2' HG12 ' A' ' 242' ' ' ILE . 73.0 p -145.81 160.2 44.68 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 171.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.23 21.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 173.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 58.3 mt -58.39 156.27 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -172.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.6 p -137.75 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -106.46 125.49 51.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.2 t -106.25 162.1 13.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.37 146.99 28.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -133.24 136.12 45.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -95.4 -10.54 29.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.11 171.29 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.66 -175.78 45.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.3 104.42 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.48 160.02 26.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -39.47 94.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.4 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.8 mt -117.6 88.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -90.56 90.46 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.39 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -155.2 165.24 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.015 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -119.11 141.61 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -153.44 166.73 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 109.271 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.53 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -134.74 176.61 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 148' ' ' VAL . 19.7 ptp180 33.52 -153.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 33.3 tt0 -59.29 110.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.653 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 26.3 p-80 -120.15 26.5 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.661 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 112.63 38.1 1.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 155' ' ' TYR . 2.1 t0 178.22 -164.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -107.29 64.69 0.64 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.99 64.23 3.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 149' ' ' ARG . 18.3 Cg_endo -75.08 131.08 13.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -170.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.53 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 4.3 m-30 -85.22 -131.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 111.073 171.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 t70 74.89 104.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 147.26 163.37 10.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.37 5.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 110.972 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.35 -130.75 11.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.5 -156.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.3 t -40.42 111.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.1 mt -80.01 -39.86 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.16 143.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.422 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -126.61 171.34 11.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -151.29 163.68 38.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -122.5 150.57 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.834 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -59.01 177.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 171.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.92 154.29 42.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 161.0 -134.76 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.938 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -168.11 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.81 -18.33 61.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -31.87 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -89.75 153.95 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.02 -22.98 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.49 166.38 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.241 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.668 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -133.76 106.61 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -93.66 120.2 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.594 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.46 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 40.7 m-85 -96.99 156.46 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.054 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -78.83 106.52 10.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -76.79 -29.36 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.97 52.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -164.03 146.68 9.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -71.91 154.86 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.223 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -139.93 155.77 47.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.663 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.5 p -138.09 179.5 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -118.32 14.12 13.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -162.36 179.24 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.5 p -79.43 77.89 5.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.6 t -143.42 -42.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.663 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.86 -134.57 5.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 32.6 m -92.21 88.43 6.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 110.389 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -48.83 117.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 199' ' ' ALA . 56.3 tp -69.04 -54.96 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -175.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.2 OUTLIER -51.84 -50.39 60.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.043 -176.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.6 OUTLIER -59.19 -35.21 73.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 t -76.5 -31.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -61.34 -40.17 93.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.3 -45.17 92.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.07 -51.42 66.41 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.668 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 0.3 OUTLIER -51.94 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 177.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.39 -41.81 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.55 -44.96 23.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.9 m-70 -71.58 -39.57 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.613 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.1 t -59.25 -35.5 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 242' ' ' ILE . 67.9 mt -72.59 -67.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -178.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.41 53.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.92 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.5 OUTLIER -153.49 126.92 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.733 . . . . 0.0 109.293 173.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 211' ' ' HIS . 35.3 m-85 -107.52 -176.16 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 210' ' ' PHE . 40.3 m170 -36.68 135.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.62 -173.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 p -92.3 -163.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -130.48 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.69 148.36 14.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 7.1 p -85.02 -23.46 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.396 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.7 -15.49 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.47 158.32 20.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.16 -27.22 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.616 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -66.4 -19.89 65.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 17.4 t80 -44.18 143.18 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 172.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -74.92 -35.61 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -169.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -74.46 131.07 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -65.55 147.13 53.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.3 123.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 83.5 p -119.35 133.66 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 227' ' ' THR . 62.2 tp -82.79 126.71 32.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 227' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 226' ' ' LEU . 39.2 m -34.38 -58.49 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.463 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -97.98 90.02 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.78 -18.9 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -173.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -7.97 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 229' ' ' LEU . 18.2 mmm180 -111.51 -6.08 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -54.62 144.99 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 -177.482 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -155.18 158.87 39.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 176.522 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.603 HD11 ' CG1' ' A' ' 123' ' ' VAL . 20.3 mt -77.68 130.42 36.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 87.4 p -73.75 166.28 23.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -55.76 -31.87 62.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -58.88 -39.2 80.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.86 -45.21 59.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -66.02 -34.68 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -52.54 -45.94 66.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.56 -57.59 4.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.77 HD12 ' CD2' ' A' ' 209' ' ' LEU . 1.2 tp -52.57 -45.62 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.76 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.7 m -71.62 -31.86 67.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.938 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.46 -18.31 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.1 m-85 -146.5 -91.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.908 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.88 119.33 3.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.01 28.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.036 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 123.79 8.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 0.0 111.039 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.63 6.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.6 155.32 40.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 63.5 m -81.22 148.45 63.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.62 141.43 51.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.408 -179.617 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.697 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.407 0.146 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.51 152.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.7 p -131.34 138.63 49.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.6 OUTLIER -55.25 169.79 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 175.021 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.46 1.768 . . . . 0.0 111.046 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.9 -9.01 5.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 245' ' ' LEU . 65.2 mt 66.44 104.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.378 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.749 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -74.97 130.53 13.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 178.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.3 pttt 177.65 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -62.78 153.92 31.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -88.97 -3.9 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.45 158.69 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 p -90.06 -31.67 17.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -74.68 92.81 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.612 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 130' ' ' LEU . 59.6 mt -96.01 149.54 21.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.06 151.08 42.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 172.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -139.76 171.77 13.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -162.41 148.52 12.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.4 116.34 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.269 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.16 -40.37 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -157.72 172.05 19.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -128.69 -171.2 2.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -111.77 144.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.346 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 68.32 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.098 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.22 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -98.83 157.2 34.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.507 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.0 167.28 27.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 170.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -62.55 -63.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.49 -34.25 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.46 -45.82 89.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.31 -52.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.98 -37.54 64.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.946 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.07 -42.21 62.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.391 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.45 -50.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -48.14 -28.05 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -88.62 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.84 -42.65 68.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.86 -50.98 67.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -60.48 -41.42 94.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -51.35 -31.92 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 -178.184 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.78 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 83.1 m95 -88.75 -34.46 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.99 -24.7 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 0.0 110.306 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -19.22 60.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 242' ' ' ILE . 5.6 m -131.5 16.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 -172.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 68.8 p -144.28 158.64 54.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.79 21.49 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 246' ' ' TYR . 70.4 mt -58.36 154.13 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -170.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.82 134.26 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.41 125.02 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 -172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.9 t -104.08 161.92 13.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 110.073 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -106.11 149.72 26.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.277 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 71.6 mt -136.44 144.43 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -109.26 -6.38 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.07 170.36 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -158.22 49.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -104.03 160.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.27 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.48 158.21 44.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -62.17 -37.66 86.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.12 86.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.21 89.2 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.51 143.39 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -152.42 153.29 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.069 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.37 147.93 33.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.18 144.14 19.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.8 156.01 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 169.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 54.04 -170.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.54 137.71 29.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CD2' ' OD1' ' A' ' 153' ' ' ASP . 25.2 p-80 -134.68 47.97 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -174.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.4 67.56 2.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.626 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.5 p-10 -178.04 -173.08 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -171.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.37 3.59 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -118.41 91.91 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 175.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 178.71 6.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.617 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER -136.13 -164.87 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.105 -175.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 1.7 t70 85.67 115.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 173.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 155.07 164.69 13.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 103.46 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.53 -126.74 7.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 52.81 -157.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.617 HG12 ' CE1' ' A' ' 157' ' ' PHE . 58.3 t -36.98 116.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.512 HD11 ' C35' ' A' ' 256' ' ' INH . 9.9 mt -89.72 -41.34 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.381 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.01 143.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.442 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 1.7 p-80 -134.35 165.85 24.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.67 171.17 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.57 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 54.7 m-85 -143.33 164.24 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -173.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -52.37 159.8 1.49 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.239 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.407 ' HA ' ' CA ' ' A' ' 176' ' ' GLY . 18.3 Cg_endo -75.05 141.81 26.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.33 -174.73 42.18 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 101.31 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 94.01 -108.33 3.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.394 1.059 . . . . 0.0 110.97 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -31.67 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -171.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -86.72 146.44 26.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 170' ' ' PRO . . . 94.24 -32.99 5.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 148.61 39.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.772 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -114.05 130.61 56.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -110.25 121.06 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.622 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.511 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 44.8 m-85 -103.65 168.86 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.36 132.7 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 -18.47 17.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 176.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.35 49.19 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.82 145.87 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -139.16 158.0 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.602 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 49.5 p -141.85 171.81 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.471 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -111.29 14.53 21.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -179.31 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.9 p -82.8 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.8 t -114.22 -16.58 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 110.432 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.38 -146.14 5.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 194' ' ' ASN . 96.0 m -88.45 74.69 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 167.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 193' ' ' THR . 1.4 t-20 -34.81 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 199' ' ' ALA . 52.0 tp -72.68 -50.3 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -53.36 -48.0 68.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -177.506 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.857 HD21 ' C13' ' A' ' 256' ' ' INH . 0.5 OUTLIER -62.07 -34.96 77.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 194' ' ' ASN . 49.1 t -76.23 -32.13 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -59.48 -39.18 82.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.722 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -56.3 -55.37 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' HIS . . . . . 0.453 ' NE2' ' H37' ' A' ' 256' ' ' INH . 35.5 t60 -46.44 -55.48 7.37 Favored 'General case' 0 N--CA 1.513 2.709 0 O-C-N 121.119 -0.988 . . . . 0.0 110.874 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.772 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.1 mm-40 -50.07 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.403 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -48.73 -41.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -176.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.11 -49.5 30.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.6 m-70 -62.63 -37.96 88.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 0.729 . . . . 0.0 109.598 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.2 t -67.42 -33.44 75.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.9 mt -77.36 -36.75 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.63 -9.81 4.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 32.1 m-85 -122.52 170.5 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 210' ' ' PHE . 49.1 m170 -42.58 130.74 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.538 -168.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 88.2 p -87.64 176.62 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.08 148.85 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 61.9 p -101.23 -22.49 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.19 -12.2 58.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.67 159.89 32.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -83.78 -21.3 32.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 178.606 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.96 -21.32 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.507 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.7 t80 -54.43 133.06 62.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.06 62.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 133.87 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 223' ' ' TYR . . . . . 0.452 ' HA ' ' C12' ' A' ' 256' ' ' INH . 78.2 t80 -53.87 151.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -156.9 123.76 5.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.6 t -116.18 175.59 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 227' ' ' THR . 20.6 tp -155.83 139.65 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 227' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 226' ' ' LEU . 71.1 p -34.69 -63.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.401 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.3 122.92 45.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -71.91 -18.09 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -174.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -6.32 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 229' ' ' LEU . 66.9 mtt-85 -106.41 -6.03 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -62.43 142.76 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -177.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -158.68 147.52 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.246 176.494 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.78 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 18.5 mt -67.44 122.41 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.4 p -61.86 171.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -31.8 69.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -56.99 -47.3 81.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.69 -50.45 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.678 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.9 mp -64.14 -37.42 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.27 -44.97 68.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.74 -53.14 4.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.49 -45.13 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 -174.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -26.57 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.8 m -72.73 -28.57 62.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.971 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 90' ' ' PRO . 8.5 mt -81.7 -17.7 47.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 130' ' ' LEU . 45.2 m-85 -143.12 -87.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 111.043 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.97 110.86 3.1 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 171.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 110.966 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.86 34.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.48 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -71.18 154.92 41.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.491 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.6 OUTLIER 169.61 -55.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -178.522 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -75.11 144.46 29.93 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.552 1.817 . . . . 0.0 110.979 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.2 77.41 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.425 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.857 ' C13' HD21 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.473 0.178 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -148.18 171.48 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -140.9 135.24 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.798 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -55.39 172.07 0.3 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 110.969 173.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 171.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.74 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 mt 67.04 98.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.264 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.17 16.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.978 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE3' HD23 ' A' ' 245' ' ' LEU . 15.4 ptpt 180.0 121.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.402 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 92.0 m95 -58.13 143.11 45.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.005 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -88.07 0.37 56.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.19 142.72 50.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -84.89 -33.76 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -74.24 88.93 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.573 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.96 156.43 16.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.83 152.28 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 174.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -146.05 170.94 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -165.44 143.5 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -101.41 115.36 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 174.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.02 -41.29 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -152.62 171.27 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -124.58 -178.49 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.19 143.19 27.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.974 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -48.86 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.6 157.43 33.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.95 164.91 32.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 110.958 171.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -60.57 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.16 -36.12 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.69 -46.23 86.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.356 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.47 -54.46 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.526 ' OD1' HD13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -51.14 -32.97 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.5 t -58.94 -45.3 90.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.83 -37.97 64.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 35.4 t -74.96 -56.43 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.48 -30.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 22.1 mttm -89.7 -48.9 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -175.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.6 -42.59 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 59.3 mt -60.43 -55.13 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.37 -34.93 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.709 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.72 -33.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.792 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 87.6 m95 -91.84 -31.5 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 108.079 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.43 -24.32 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.72 -19.3 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.579 HG23 HG21 ' A' ' 242' ' ' ILE . 10.5 m -129.57 17.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.3 p -144.65 159.78 49.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 170.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.57 20.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 174.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 77.1 mt -63.8 157.41 24.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -169.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 p -134.32 161.84 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -134.34 136.48 43.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -124.55 155.2 39.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.956 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.84 143.09 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.314 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.94 105.85 8.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -48.22 -31.27 5.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 111.069 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.31 148.98 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 172.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.02 -162.63 28.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.61 48.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.0 148.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -62.81 -51.55 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mt -101.71 92.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 11.9 mtp -92.66 86.75 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.99 137.1 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m -146.54 161.81 39.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.391 1.057 . . . . 0.0 109.967 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -119.25 149.72 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.75 144.08 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.16 166.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 43.97 -164.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -53.67 121.65 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -119.82 48.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.633 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.6 61.79 6.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.562 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.4 OUTLIER -174.53 177.24 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 0.716 . . . . 0.0 109.309 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.3 t80 -83.22 -4.32 58.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 -170.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.42 89.16 20.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 177.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.3 4.86 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.5 OUTLIER -58.53 155.93 11.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 110.959 173.053 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.77 -71.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 171.53 -126.23 1.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.95 18.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 110.971 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 76.88 -152.19 40.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.36 -154.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.474 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 157' ' ' PHE . 76.6 t -38.05 121.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.566 HD11 ' H69' ' A' ' 256' ' ' INH . 4.5 mt -95.38 -39.74 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 172.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.68 143.29 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -130.11 164.67 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.599 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.59 169.28 24.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -173.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -144.8 144.18 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -48.29 171.51 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -75.01 157.27 42.83 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.24 -124.56 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.562 1.164 . . . . 0.0 111.049 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.44 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.943 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.38 -17.36 64.04 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.562 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.4 OUTLIER -84.06 -30.73 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 178.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.2 m-20 -85.66 151.85 23.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.77 -37.56 3.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -68.7 158.64 33.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.342 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.66 124.36 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -100.85 123.1 44.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.568 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 202' ' ' GLU . 16.7 m-85 -102.69 170.46 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -96.65 132.32 42.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -24.57 14.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.8 50.22 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 186' ' ' TRP . 18.2 tp10 -162.35 143.62 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.97 154.18 42.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 184' ' ' GLU . 94.5 m95 -141.9 155.81 45.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.611 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.8 p -140.08 168.74 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.409 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -111.32 29.24 7.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.375 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.61 176.18 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.3 p -74.56 71.72 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.396 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 37.7 p -133.1 -54.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.42 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.611 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -110.58 -134.68 6.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.4 m -79.38 77.05 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -41.85 105.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.76 -55.98 27.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.457 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -47.3 -48.44 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -177.583 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 1.006 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.72 -38.16 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -178.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.78 -32.95 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -67.03 -45.39 77.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.988 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.83 -24.25 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.08 -58.72 3.12 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 121.079 -1.013 . . . . 0.0 110.898 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.15 -49.44 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 -179.536 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.42 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.4 OUTLIER -52.78 -38.11 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.13 71.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.7 m-70 -60.45 -38.85 85.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.741 . . . . 0.0 109.612 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 70.1 m -71.9 -30.92 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.87 -95.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -159.42 37.06 0.48 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.445 1.091 . . . . 0.0 110.949 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.02 178.11 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.616 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 13.5 m-85 -154.29 -63.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.957 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -151.25 131.04 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 23.3 m -96.33 172.38 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.06 -37.51 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.25 147.84 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.4 t -95.55 -21.95 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.34 -8.26 59.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.86 160.37 31.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.006 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -87.42 -13.46 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 175.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.452 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -83.66 -6.61 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 7.1 t80 -66.02 148.12 98.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.0 Cg_endo -75.03 1.64 7.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.43 1.753 . . . . 0.0 110.966 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.68 139.72 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -58.76 154.96 13.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 170.31 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.546 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.3 t -154.73 172.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.52 151.21 29.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 48.3 m -47.29 -51.93 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.27 122.6 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.99 -19.12 62.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -177.549 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.419 ' N ' HD23 ' A' ' 229' ' ' LEU . 17.2 p -61.89 -9.2 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.41 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -113.1 -6.88 13.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.68 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.6 t80 -52.75 153.0 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.2 156.05 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.792 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 26.5 mt -77.66 137.28 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.5 m -69.58 155.23 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -34.02 58.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -40.19 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.9 -50.39 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.71 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -58.12 -38.61 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.08 -44.72 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.384 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.88 -50.96 6.1 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.71 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.96 -21.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.256 -175.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -87.27 -44.31 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.0 p -52.51 -33.89 47.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.549 HD23 ' HE3' ' A' ' 91' ' ' LYS . 1.3 mt -83.68 -31.23 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 36.2 m-85 -133.7 -94.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.99 119.38 3.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.09 31.93 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.78 8.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -71.75 158.93 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 50.3 m -61.49 120.02 52.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 73.75 4.16 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.447 1.762 . . . . 0.0 111.062 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -19.89 57.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.989 -1.482 . . . . 0.0 110.406 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.826 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.9 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.504 0.192 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -141.6 161.14 38.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.7 p -139.85 135.32 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.458 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.4 OUTLIER -59.66 170.8 0.97 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 175.15 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.19 -7.01 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.405 HG23 HD23 ' A' ' 245' ' ' LEU . 67.1 mt 66.58 106.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.798 . . . . 0.0 109.265 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.618 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.92 130.94 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 pttp 177.61 123.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -61.46 159.25 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -89.86 -4.11 57.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.216 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -133.89 160.2 38.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 p -96.23 -33.42 12.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.416 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 76.22 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.671 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.43 157.44 28.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 150.02 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -143.09 172.07 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -165.11 144.75 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.95 119.77 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -79.78 -39.8 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -162.4 173.43 14.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 -172.17 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 110.987 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.91 143.36 28.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.93 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.26 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 108' ' ' LEU . 17.8 mt -97.52 156.87 35.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.97 163.24 35.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 110.963 170.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.1 -59.03 5.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.86 -36.74 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.16 -45.96 89.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -176.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.51 -52.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.242 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.64 -34.65 59.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.2 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.49 -51.51 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -43.82 -35.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 13.6 mttp -82.84 -52.23 6.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -176.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.88 -42.83 69.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.95 -54.63 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.3 69.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -172.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.73 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -56.94 -32.47 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.0 m95 -87.93 -31.95 19.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.91 -25.96 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.35 -19.96 55.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.193 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.606 HG23 HG21 ' A' ' 242' ' ' ILE . 6.0 m -131.23 16.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.7 p -144.32 160.1 49.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 171.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.42 20.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 246' ' ' TYR . 81.5 mt -58.38 153.94 14.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -171.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -137.36 134.5 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.41 136.95 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.5 t -125.59 160.96 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.02 145.9 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.4 mt -126.68 139.27 53.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -98.01 -3.73 37.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.55 167.07 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.88 -168.46 54.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.41 1.068 . . . . 0.0 110.996 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.01 112.42 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 110.305 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.99 160.77 27.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.9 -35.48 80.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.21 84.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.08 88.58 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.53 142.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -151.73 164.41 37.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.9 m-85 -121.69 143.72 49.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 175.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.2 143.54 12.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.8 170.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 41.97 -160.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.15 141.68 58.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 27.5 p-80 -153.78 36.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -164.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 126.98 -90.98 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 2.4 t0 -71.47 -165.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.01 75.21 2.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.588 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.64 71.9 4.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.559 1.82 . . . . 0.0 111.014 -170.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.51 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -42.87 138.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 171.444 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.5 -62.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 160.9 -123.17 1.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.96 14.83 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.24 -158.01 45.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.57 -156.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 0.815 . . . . 0.0 109.311 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.51 HG12 ' CE1' ' A' ' 157' ' ' PHE . 2.6 t -41.12 115.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.449 HD21 ' H69' ' A' ' 256' ' ' INH . 4.6 mt -84.83 -40.22 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -167.12 142.52 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -130.55 160.27 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.19 166.44 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -119.35 160.24 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.941 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -66.02 177.31 0.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 169.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.99 133.73 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -168.22 -132.36 1.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.573 1.17 . . . . 0.0 110.948 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -171.87 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -66.89 -14.91 63.97 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -171.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.81 -26.68 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.275 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.7 m120 -88.26 169.32 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.02 -38.0 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 156.62 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.43 121.43 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 4.2 m170 -101.63 123.98 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.56 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 15.6 m-85 -101.89 162.8 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.9 135.33 35.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -23.2 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.399 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.78 49.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -161.51 150.98 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 9.1 tp-100 -76.05 155.06 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.7 m95 -143.86 154.55 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.652 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.0 p -138.86 172.6 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -104.02 -17.64 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.25 -177.07 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 229' ' ' LEU . 1.6 p -71.66 78.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.4 p -137.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.376 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.652 ' N ' HG21 ' A' ' 187' ' ' THR . . . -122.11 -132.97 4.19 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.7 m -80.94 76.21 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 0.802 . . . . 0.0 110.359 171.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 193' ' ' THR . 55.9 t-20 -38.79 107.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.12 -56.42 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -172.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 3.5 t80 -49.75 -46.23 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -52.74 -38.95 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 82.4 t -79.21 -35.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.03 79.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 1.063 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.5 -49.67 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -49.61 -53.12 25.79 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.068 -1.02 . . . . 0.0 110.762 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 7.9 mm-40 -52.93 -61.73 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.8 -39.84 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.2 -40.86 37.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 59.0 m-70 -66.96 -40.84 87.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 0.808 . . . . 0.0 109.605 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 21.5 m -64.26 -28.72 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.8 mt -81.34 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -163.43 32.66 0.28 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.0 111.011 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.45 ' HG ' HD12 ' A' ' 242' ' ' ILE . 12.5 mt -122.52 169.65 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.278 174.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.557 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 28.2 m-85 -149.37 -88.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -131.15 106.11 8.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 0.0 109.666 -172.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 18.1 m -74.81 171.92 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.042 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.35 18.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -60.57 147.96 39.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.0 t -97.91 -17.42 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.367 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.88 -4.85 57.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.17 173.42 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.063 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -97.49 -26.16 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.579 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 69.8 mmm -75.96 -12.11 60.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.502 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 12.5 t80 -55.93 144.34 58.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 176.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.502 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -75.05 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -169.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 137.89 32.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -53.88 157.67 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.27 167.24 28.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.652 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -157.57 179.02 9.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.425 ' O ' HG21 ' A' ' 190' ' ' THR . 13.8 tp -155.28 151.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 14.9 t -60.88 -26.23 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 106.62 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.2 -23.24 65.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -176.277 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.408 ' N ' HD13 ' A' ' 229' ' ' LEU . 12.9 t -66.23 -9.31 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -105.76 -5.22 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -46.97 155.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -178.614 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -157.76 157.09 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.73 HD11 ' CG1' ' A' ' 123' ' ' VAL . 71.0 mt -77.48 126.63 31.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 170.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 47.3 t -65.17 166.68 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -64.21 -26.83 68.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.7 -37.74 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.04 -48.96 21.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.692 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -64.16 -42.24 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -49.36 -47.89 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.72 -53.78 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.692 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -54.58 -28.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 0.717 . . . . 0.0 109.305 -173.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -83.8 -35.28 24.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 25.1 p -62.73 -26.79 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -86.41 -20.67 27.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 130' ' ' LEU . 31.1 m-85 -147.93 -88.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 111.003 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.09 118.37 2.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 166.98 27.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.94 30.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.971 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.39 153.48 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 1.3 t 72.74 147.53 0.12 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 64.07 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 255' ' ' THR . 44.9 mt-10 -137.28 158.32 44.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -178.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 255' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 254' ' ' GLU . 30.1 p . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.044 -1.455 . . . . 0.0 110.431 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.772 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.776 ' N ' ' HG ' ' A' ' 212' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -149.8 172.94 14.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -127.38 133.77 49.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.85 173.29 1.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 175.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.816 . . . . 0.0 111.007 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.18 4.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -173.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 mt 65.72 102.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.99 11.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.345 1.708 . . . . 0.0 110.947 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 174.41 123.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.76 155.28 23.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -88.65 -3.97 58.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -125.89 150.53 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 p -83.65 -38.33 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 110.388 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 108.98 17.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.616 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.17 166.2 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.384 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 151.12 50.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.09 172.14 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -162.41 145.2 11.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.68 116.6 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.06 -40.05 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -159.25 171.57 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -124.61 -171.6 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.86 143.31 28.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -176.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.97 65.6 6.03 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.002 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -160.34 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.78 159.25 29.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.11 168.09 25.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 171.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -59.0 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -38.21 27.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.13 88.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.19 -51.43 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -33.54 61.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -61.84 -42.42 99.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.979 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.09 -39.3 71.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.39 1.056 . . . . 0.0 109.279 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.69 -51.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -45.68 -30.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 5.9 mtpm? -84.05 -59.41 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.4 -51.81 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -69.33 -24.53 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -172.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.599 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -65.99 -34.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.709 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.1 m95 -84.83 -31.93 23.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 108.044 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.8 -24.51 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -19.19 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 13.6 m -127.99 15.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -172.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.7 p -147.64 161.63 34.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.473 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 246' ' ' TYR . 82.3 mt -64.31 155.32 32.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -170.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.8 p -131.76 167.33 19.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 171.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -139.08 152.56 47.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.0 m -145.45 152.33 39.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -98.99 151.85 20.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 73.8 mt -129.7 148.27 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -105.59 -5.23 20.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -154.99 171.06 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.99 -158.46 53.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.58 140.38 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.282 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -108.74 163.55 13.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.9 -40.36 97.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.17 88.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.96 88.71 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.67 143.88 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -152.72 163.42 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.076 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -117.83 151.94 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.045 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -160.12 166.37 29.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.2 m -134.6 -171.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 170.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.2 ptt85 37.42 -158.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.264 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.2 tm-20 -68.19 100.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 172.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.461 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 38.2 p-80 -102.26 43.31 1.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 76.18 41.58 26.19 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.5 OUTLIER -166.36 177.41 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.0 t80 -89.81 -2.42 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -167.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -112.24 96.86 37.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 176.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.6 m-30 -108.27 127.25 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 170.04 116.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 151.66 167.57 15.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 97.33 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 110.897 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . 90.03 -97.75 2.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.3 -163.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 0.799 . . . . 0.0 109.291 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.1 t -34.82 116.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 171.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.22 -37.29 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 175.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -174.99 141.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -124.77 164.45 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.61 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.54 171.73 19.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -142.14 158.66 43.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -176.238 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.879 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.67 -179.39 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.879 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.02 152.48 40.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.38 -128.1 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -169.64 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.96 -17.38 63.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.534 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -82.76 -30.18 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 177.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.5 m-20 -85.6 155.98 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.53 -37.68 2.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.77 164.11 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.314 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -137.68 116.21 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 25.3 m170 -90.31 124.42 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.558 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.86 150.08 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -82.87 111.2 18.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 109.322 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -25.25 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.72 51.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.84 152.29 11.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.228 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 26.8 tt0 -74.59 155.89 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.328 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.403 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 92.6 m95 -141.85 155.93 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.024 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.602 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.8 p -139.74 156.54 46.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 175.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -92.21 -20.92 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -115.64 -156.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.6 p -104.28 66.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.1 t -134.21 15.28 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -174.04 -139.17 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.4 m -85.95 90.24 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.43 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.02 109.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.58 -61.1 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.44 -50.25 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.593 HD21 ' C13' ' A' ' 256' ' ' INH . 2.1 tt -57.69 -33.61 68.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 0.0 109.252 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.21 -33.47 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 196' ' ' PHE . . . -57.47 -45.89 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 1.04 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.19 -39.21 89.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.327 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' HIS . . . . . 0.442 ' CE1' ' H44' ' A' ' 256' ' ' INH . 15.9 t60 -55.9 -54.72 41.19 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 121.212 -0.93 . . . . 0.0 110.942 172.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -59.39 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 175.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.34 -44.93 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -47.09 27.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.1 m-70 -65.39 -41.43 93.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.767 . . . . 0.0 109.622 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.5 m -60.91 -36.72 80.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.67 -72.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.66 48.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 209' ' ' LEU . 13.4 mt -124.25 165.41 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 0.815 . . . . 0.0 109.281 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 211' ' ' HIS . 57.2 m-85 -155.71 164.73 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.972 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 210' ' ' PHE . 41.0 m170 -42.34 129.7 3.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.563 -169.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.776 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 2.8 m -100.4 170.36 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.47 -34.59 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.48 146.04 54.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -95.65 -14.62 23.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.14 -11.38 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.637 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.04 147.71 26.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.04 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -81.06 -8.57 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 178.439 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.534 ' N ' HD23 ' A' ' 218' ' ' LEU . 8.1 tpp -82.48 -18.44 41.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 54.6 t80 -51.67 140.84 26.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.931 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.09 52.65 3.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 131.44 2.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 172.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -52.05 152.83 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -145.52 167.54 22.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 0.0 109.535 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.5 m -159.96 174.84 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.972 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.1 tp -147.99 149.96 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 9.7 t -52.3 -33.19 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.83 97.86 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.797 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -66.78 -24.63 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -173.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.403 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -63.24 -21.63 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -177.391 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -100.87 -4.48 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.575 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.1 t80 -42.42 154.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.942 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 157.59 34.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 176.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.709 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.8 mt -81.2 137.31 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.637 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 89.7 p -69.93 164.88 22.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -30.35 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -177.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.94 -43.39 86.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.43 -43.55 69.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.614 1.196 . . . . 0.0 109.345 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -176.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -51.6 -44.36 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.94 -51.52 5.8 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.52 -26.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 -174.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.28 -40.13 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 m -55.54 -28.86 57.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 110.066 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.73 -32.73 23.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.459 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.0 m-85 -135.14 -91.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.96 119.74 4.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.89 25.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.98 32.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 161.67 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.471 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -61.75 -53.69 58.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -176.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.3 Cg_endo -75.01 87.6 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.28 75.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.279 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.031 -1.462 . . . . 0.0 110.315 -179.798 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.622 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.733 ' N ' ' HG ' ' A' ' 212' ' ' SER . 2.8 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.509 0.195 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -176.12 176.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.2 p -117.47 135.76 53.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.84 171.44 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 170.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.56 22.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp 57.25 100.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.6 Cg_endo -74.9 129.87 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.06 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 pttp 179.0 123.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -74.9 151.58 38.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.182 . . . . 0.0 108.074 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.3 -3.99 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -174.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -135.32 150.58 50.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 p -87.11 -32.22 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -74.25 74.52 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.5 mt -70.96 158.99 35.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.23 150.1 51.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 110.41 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -144.4 174.96 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -162.53 147.71 12.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -105.98 116.95 50.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.27 -40.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -157.31 171.19 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -124.33 -170.14 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -112.81 143.25 28.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.438 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.98 66.79 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 111.027 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -161.67 -48.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.2 mt -102.64 159.42 29.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.02 164.73 32.74 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.527 1.804 . . . . 0.0 111.056 171.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -60.52 -61.93 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -35.03 61.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 -174.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.24 -45.77 86.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.354 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.16 -54.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.23 -37.0 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.55 -41.6 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.35 -39.14 72.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 5.1 t -74.85 -55.89 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -46.3 -28.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.355 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 115' ' ' SER . 29.3 mtpt -85.94 -52.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.69 -41.52 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 41.9 mt -62.16 -52.39 64.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -59.01 -36.58 75.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.2 t -56.75 -40.35 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.812 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.6 m95 -86.7 -30.76 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 107.962 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.52 -23.34 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.404 ' OE1' ' NH2' ' A' ' 233' ' ' ARG . 3.0 mt-10 -78.66 -17.68 55.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.558 HG23 HG21 ' A' ' 242' ' ' ILE . 14.4 m -127.88 18.81 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -171.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.3 p -148.79 161.53 32.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.402 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.08 20.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -57.94 155.54 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -171.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -137.26 133.9 35.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.98 154.88 19.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.0 m -152.07 152.39 32.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -100.4 153.85 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.4 mt -127.47 113.03 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -57.56 -24.64 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.99 165.43 36.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.06 -177.61 32.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.93 105.76 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 110.252 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.2 162.37 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.87 -39.56 94.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.9 mt -117.24 86.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.5 89.92 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.67 130.1 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.8 p -149.75 124.85 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.067 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.491 ' CE1' ' CD1' ' A' ' 180' ' ' PHE . 5.4 m-30 -86.27 155.36 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.94 142.34 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.435 HG23 ' HG2' ' A' ' 149' ' ' ARG . 1.3 m -98.27 167.73 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 172.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.435 ' HG2' HG23 ' A' ' 148' ' ' VAL . 2.1 ptm180 41.76 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.222 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -52.49 137.46 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.757 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 41.7 p-80 -151.58 36.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.543 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.558 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 94.77 -175.64 34.21 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 1.2 t70 42.81 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.384 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.17 69.18 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.757 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -150.05 69.67 9.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 174.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.556 1.819 . . . . 0.0 111.05 -172.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -53.7 162.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 172.714 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -150.88 90.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.71 -167.28 4.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 171.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 66.88 -160.29 48.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 44.22 -148.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -176.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.54 HG12 ' CE1' ' A' ' 157' ' ' PHE . 55.9 t -35.05 117.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 172.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.94 -38.81 11.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 174.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.23 141.87 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -131.62 169.28 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.632 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.96 151.48 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -173.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.15 147.37 37.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.72 177.22 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.829 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.97 157.21 43.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 167.45 -129.75 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.47 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -67.05 -14.51 63.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -171.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -22.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.201 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.19 164.16 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.48 -10.46 50.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.7 174.22 11.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.86 121.76 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -112.63 124.77 53.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.529 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.491 ' CD1' ' CE1' ' A' ' 146' ' ' PHE . 17.6 m-85 -102.5 172.9 6.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 171.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.74 108.15 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.51 -25.64 57.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.295 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -86.29 52.21 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -162.44 147.85 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.48 154.28 41.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.278 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -144.18 156.15 44.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.6 p -140.78 178.26 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -116.22 21.15 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.8 179.64 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.9 p -77.2 67.44 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 39.1 p -127.46 -46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.58 ' N ' HG21 ' A' ' 187' ' ' THR . . . -116.2 -131.01 4.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 29.8 m -90.06 95.94 10.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 170.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -52.91 108.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.02 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.23 -49.14 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -177.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.578 HD21 ' C13' ' A' ' 256' ' ' INH . 1.7 tt -59.59 -36.22 75.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.06 -28.27 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -71.4 -38.62 71.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.243 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.834 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.63 -22.75 66.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.13 -59.3 2.8 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 121.097 -1.002 . . . . 0.0 110.825 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -53.47 -52.09 60.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.459 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -52.35 -38.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.64 -37.93 69.94 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 65.7 m-70 -66.93 -36.64 82.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.585 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.6 t -70.32 -35.1 73.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 242' ' ' ILE . 60.2 mt -73.06 -54.68 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' GLY . . . . . 0.698 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 141.18 55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 110.914 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 1.055 HD21 HD12 ' A' ' 242' ' ' ILE . 0.0 OUTLIER -150.97 149.99 30.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 166.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 211' ' ' HIS . 39.1 m-85 -123.86 -176.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 210' ' ' PHE . 65.1 m170 -40.66 138.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.618 -171.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.733 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 1.9 m -108.31 177.48 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 109.987 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.61 -47.99 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -54.8 148.49 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.212 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 11.6 t -94.34 -29.83 14.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.02 -17.72 62.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.14 137.32 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.067 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -72.91 -13.69 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.327 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.0 tpp -83.51 -7.18 59.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 37.4 t80 -63.93 137.56 97.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -75.0 55.94 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -167.05 128.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -75.53 144.63 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -169.83 122.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 75.6 m -93.42 134.67 35.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.19 148.84 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.2 t -48.3 -36.71 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -137.13 106.22 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.33 -24.32 67.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -175.308 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.1 t -64.31 -14.61 57.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -103.33 -5.52 22.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 0.2 OUTLIER -45.27 147.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -177.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.404 ' NH2' ' OE1' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -159.71 146.16 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 176.105 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.748 HD11 ' CG1' ' A' ' 123' ' ' VAL . 26.3 mt -68.77 139.01 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 3.5 m -77.73 158.62 29.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 110.059 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -31.46 44.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.338 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.12 -42.78 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.386 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.82 -48.74 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.679 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.92 -36.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -175.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -44.62 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.83 -51.11 5.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 1.055 HD12 HD21 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -59.07 -23.23 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -174.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -91.94 -34.61 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.2 m -57.06 -30.7 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 90' ' ' PRO . 35.1 mt -88.02 -22.27 24.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -142.43 -93.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 111.105 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.21 120.29 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.15 31.87 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.94 7.94 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.22 144.91 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.484 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 168.58 -55.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -75.05 74.34 4.06 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 110.944 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.33 139.83 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.001 -1.476 . . . . 0.0 110.401 -179.421 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.706 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.47 0.176 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -142.67 159.93 41.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -125.53 134.24 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -64.47 171.69 2.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 175.587 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.93 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.85 -11.78 4.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.432 HG22 ' HG2' ' A' ' 91' ' ' LYS . 34.1 mt 65.76 102.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.412 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.94 127.82 11.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.071 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.432 ' HG2' HG22 ' A' ' 89' ' ' ILE . 6.8 ptpt 172.47 123.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.424 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 98.4 m95 -69.01 150.56 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 107.962 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.74 -4.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.7 154.11 38.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.8 p -94.62 -32.3 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -74.4 80.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.04 161.63 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 151.4 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -144.36 175.17 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.053 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -162.77 146.24 11.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.1 114.94 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.417 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.1 t -78.42 -39.83 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.68 173.28 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.96 -176.64 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -175.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 145.25 30.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 63.04 6.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.84 -48.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.07 157.57 33.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.482 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.06 165.16 31.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 169.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -60.72 -62.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.53 -34.11 57.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -174.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.6 -46.17 83.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 109.243 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.59 -53.73 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -37.95 34.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -54.4 -43.49 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.84 66.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -79.09 -51.24 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.75 -25.53 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' SER . 40.9 mttm -91.55 -52.45 4.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.28 -47.77 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.269 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.66 -52.77 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.87 -27.43 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -63.8 -35.32 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.832 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.1 m95 -87.02 -28.43 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.078 -175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -51.95 -26.07 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.33 -20.14 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.287 -171.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 242' ' ' ILE . 12.7 m -126.14 14.05 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -171.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' VAL . 14.1 p -149.8 160.31 34.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 168.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.0 mt -57.79 153.88 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -171.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -138.32 134.22 33.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.35 129.86 55.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -172.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.9 t -111.99 162.86 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 142.31 34.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.8 112.88 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -70.8 -14.13 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -161.84 166.27 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 99.02 -178.53 30.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -97.53 99.88 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.367 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.38 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.73 -38.92 92.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.94 89.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 3.6 mtt -90.53 88.79 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.96 137.15 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.7 p -148.93 169.68 20.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 110.037 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.3 m-85 -124.61 152.32 43.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 176.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.85 142.75 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.3 m -99.9 164.11 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 173.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' VAL . 4.9 ptt85 42.27 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.16 129.89 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.65 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 46.7 p-80 -139.06 35.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.59 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 95.92 -173.5 30.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 0.8 OUTLIER 43.62 -157.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 175.526 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.63 71.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.65 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.88 72.6 5.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 176.089 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -70.7 -167.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 177.682 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 5.2 t0 83.36 115.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 166.87 176.3 37.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 84.2 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.64 -106.34 2.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.65 -153.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 178.171 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.634 HG12 ' CE1' ' A' ' 157' ' ' PHE . 77.9 t -37.46 122.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.84 -39.51 8.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.483 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -164.44 142.53 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -132.33 167.04 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.66 153.62 28.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -172.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -112.91 153.31 28.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.836 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -57.49 178.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 170.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.836 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.99 152.38 40.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 163.15 -133.7 3.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -168.69 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.783 . . . . 0.0 110.954 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.02 -18.51 62.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.393 1.058 . . . . 0.0 111.0 -169.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.32 -31.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.294 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -87.65 145.11 26.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.49 27.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.581 1.175 . . . . 0.0 110.999 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.99 159.83 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.03 122.15 27.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.288 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -106.26 123.6 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 25.4 m-85 -102.91 170.85 7.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 111.037 174.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -93.29 132.51 37.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.56 -21.89 15.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -88.14 51.41 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.56 152.65 16.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -72.7 155.11 40.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -144.95 156.75 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 107.945 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.592 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.3 p -140.66 174.68 10.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -115.51 24.33 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -169.08 -176.39 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.3 p -82.24 90.42 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.5 t -159.52 -44.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.403 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.592 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -112.54 -132.64 5.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 67.9 m -88.61 83.42 6.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.411 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -44.57 107.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.215 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.36 -54.34 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -172.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 229' ' ' LEU . 0.4 OUTLIER -50.51 -46.68 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -176.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.982 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.39 -38.43 63.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 45.0 t -79.4 -30.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.8 -45.65 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.995 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.77 -23.53 67.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -76.19 -59.16 2.88 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.123 -0.986 . . . . 0.0 110.789 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.0 OUTLIER -53.9 -50.79 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.3 OUTLIER -54.37 -39.83 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -178.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.97 -43.88 55.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 72.1 m-70 -63.15 -37.04 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.604 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.7 t -68.45 -43.31 77.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.107 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.47 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.92 50.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.929 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.449 HD12 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.12 165.32 19.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.506 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.7 m-85 -157.05 160.42 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 210' ' ' PHE . 57.1 m170 -35.82 118.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.562 -169.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.9 m -77.34 172.46 13.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.37 27.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -61.99 149.07 41.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -9.73 19.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.72 -4.86 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.74 152.9 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.995 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -76.48 -12.4 60.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -13.0 59.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.963 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.4 t80 -66.82 139.85 95.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.95 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.8 OUTLIER -166.72 132.78 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 176.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.66 149.42 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -135.95 172.51 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 51.0 m -163.53 168.58 19.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.2 tp -154.59 155.49 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -37.15 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 110.39 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 129.73 13.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 0.0 109.281 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -81.59 -19.43 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -175.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.425 ' N ' HD23 ' A' ' 229' ' ' LEU . 5.9 t -61.49 -9.29 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -115.78 -6.09 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.722 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.2 t80 -48.51 154.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -156.72 156.45 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.832 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 5.1 mt -82.82 136.58 34.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.207 175.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.8 m -61.93 159.03 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.26 -27.46 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -57.7 -41.72 82.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.41 -45.0 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.637 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -66.81 -37.73 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -44.78 63.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.7 -56.2 3.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.901 -175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.3 OUTLIER -54.61 -46.21 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -175.304 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -26.11 60.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 10.7 t -71.72 -33.1 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 90' ' ' PRO . 7.0 mt -78.33 -16.7 57.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.8 m-85 -143.34 -89.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.11 115.57 3.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.567 1.825 . . . . 0.0 111.022 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.15 7.64 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.64 144.14 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.48 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 167.82 -54.78 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.0 Cg_endo -75.03 67.85 5.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.967 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.64 79.69 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.353 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.858 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.464 0.173 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -136.43 171.9 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.6 p -130.76 -109.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.98 168.42 0.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 111.059 -178.375 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.95 85.28 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.407 1.74 . . . . 0.0 111.014 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.26 -6.49 6.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.8 mt 67.01 116.51 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.599 0.823 . . . . 0.0 109.264 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.619 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.99 128.13 11.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 174.8 123.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.33 159.2 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 107.968 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.1 -3.9 58.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -134.1 156.74 47.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 p -90.81 -33.99 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.05 83.01 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.4 mt -83.84 158.98 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.19 152.5 44.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -145.31 169.52 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -167.09 140.76 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.55 113.7 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 174.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.68 -39.97 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.05 169.57 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -121.76 -179.26 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -107.43 141.88 23.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.92 69.02 5.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -163.56 -48.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 108' ' ' LEU . 18.0 mt -99.37 157.53 33.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.7 Cg_endo -74.89 163.91 34.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.71 -57.86 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -173.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 115' ' ' SER . 4.5 t70 -51.23 -39.02 55.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.5 -46.11 91.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -175.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.13 -53.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -52.56 -33.69 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -64.91 -43.44 92.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.013 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.47 -33.14 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.37 -51.81 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.67 -28.59 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 115' ' ' SER . 26.5 mttp -91.95 -47.66 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -175.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -57.4 -49.19 77.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.88 -53.86 49.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -61.38 -33.67 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.355 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.98 -32.38 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -178.025 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.7 m95 -90.57 -31.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.99 -24.78 17.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.02 -18.57 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 242' ' ' ILE . 6.8 m -132.79 17.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -173.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.0 p -145.71 159.05 48.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 171.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.78 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.8 mt -57.47 152.22 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 -171.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.79 134.98 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 173.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.9 134.54 51.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 110.976 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 m -123.25 144.78 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.09 153.55 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.3 mt -132.82 146.75 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -98.64 -9.09 25.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -155.5 174.65 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.22 52.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.34 104.76 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.268 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.37 158.35 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.72 -36.95 85.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.3 mt -117.14 85.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.85 91.15 7.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.3 149.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.9 t -155.5 161.44 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -117.88 134.27 55.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -147.65 167.02 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -174.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.58 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -132.21 -177.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 165.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 148' ' ' VAL . 9.5 ptm180 36.52 -157.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 177.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.455 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 0.8 OUTLIER -65.74 102.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 176.043 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 22.3 p-80 -105.14 -5.97 20.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.652 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.12 -87.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.488 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.28 -166.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.355 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -99.02 77.07 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.61 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.77 64.16 2.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -176.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.74 22.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -169.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 10.2 m-30 -93.96 146.34 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 172.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.05 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -53.46 151.27 10.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 -175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.7 8.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.28 -117.39 4.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 44.27 -148.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 0.812 . . . . 0.0 109.314 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.3 t -33.62 109.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 173.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.0 -34.9 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.62 143.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.57 ' HA ' ' O5 ' ' A' ' 256' ' ' INH . 0.1 OUTLIER -118.93 167.2 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 176.566 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.83 172.14 18.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -127.64 167.32 16.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.76 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.3 173.95 2.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.76 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.95 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.062 -173.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -167.48 167.07 39.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.56 1.821 . . . . 0.0 111.008 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 81.67 -115.05 3.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -24.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.298 -171.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.13 165.13 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.9 -38.14 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 162.52 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.05 112.02 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 6.1 m170 -97.15 123.97 41.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -97.41 151.6 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 9.6 t70 -78.14 103.29 7.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.62 -24.78 56.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.12 50.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -168.71 147.55 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 52.9 tp60 -71.2 153.68 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.503 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 94.8 m95 -135.46 157.96 45.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.07 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.639 HG21 ' HA3' ' A' ' 192' ' ' GLY . 12.7 p -139.92 172.72 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -115.98 27.84 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -171.38 179.38 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.3 p -79.54 86.76 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.38 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.8 t -155.99 -42.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.376 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.639 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.97 -139.06 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 173.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 69.1 m -81.09 80.02 7.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.449 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.5 108.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.06 -55.69 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 -172.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.432 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -50.01 -42.59 49.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -174.546 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -56.74 -38.24 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.618 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.64 -37.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.44 77.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.894 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -64.21 -30.0 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.45 -53.03 9.35 Favored 'General case' 0 N--CA 1.514 2.751 0 O-C-N 121.153 -0.967 . . . . 0.0 110.851 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -51.7 52.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.91 -40.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.25 37.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 73.2 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.576 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.7 m -63.65 -29.7 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.936 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.16 -98.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -158.35 33.16 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.524 HD12 ' CH2' ' A' ' 124' ' ' TRP . 15.4 mt -120.58 173.62 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.605 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 15.7 m-85 -152.89 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 40.7 m170 -148.35 126.49 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -174.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 63.1 p -90.92 176.65 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.77 12.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.25 147.43 51.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 7.1 t -95.34 -15.84 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.419 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.14 -16.07 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -78.64 155.88 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -82.75 -13.58 56.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.491 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.9 tpt -81.92 -8.46 59.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.996 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.482 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 38.0 t80 -72.38 144.77 87.14 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.046 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.96 59.78 5.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -167.36 134.48 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -75.3 151.72 38.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.06 124.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 58.4 m -97.26 134.92 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 tp -86.34 155.09 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 12.0 t -54.99 -28.82 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.428 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' ASP . . . . . 0.424 ' OD2' ' NH1' ' A' ' 231' ' ' ARG . 0.0 OUTLIER -148.66 131.55 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 176.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -104.39 -19.18 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -175.149 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.426 ' N ' HD23 ' A' ' 229' ' ' LEU . 8.0 t -60.94 -11.49 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ARG . . . . . 0.424 ' NH1' ' OD2' ' A' ' 228' ' ' ASP . 0.1 OUTLIER -121.54 -5.54 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.716 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -38.52 149.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -176.033 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -153.09 150.02 28.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.6 mt -71.69 139.58 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.474 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 43.6 m -69.31 156.94 37.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -33.7 54.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -52.39 -43.09 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.6 -44.48 57.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.6 -35.92 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -50.47 58.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -50.84 6.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.43 -28.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 -174.519 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -88.17 -35.33 17.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.1 t -57.94 -30.68 66.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -91.26 -15.91 28.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.91 -89.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.07 122.29 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.571 1.827 . . . . 0.0 110.976 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 177.86 8.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.5 143.64 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.3 OUTLIER -72.74 -54.01 5.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -74.97 160.73 39.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.971 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -78.35 105.36 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.029 -1.462 . . . . 0.0 110.378 -179.472 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.863 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.489 0.185 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -143.15 167.56 21.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -133.95 134.96 43.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.2 OUTLIER -60.56 170.29 1.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 176.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 96.74 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 -8.77 6.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.421 1.075 . . . . 0.0 111.014 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 58.9 mt 67.13 106.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.723 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.95 129.72 12.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 pttp 176.97 124.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -67.94 155.56 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -86.08 -3.33 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' CD ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.45 150.25 50.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -178.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 p -87.57 -30.37 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.601 1.188 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -76.52 92.39 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.612 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' CD ' ' A' ' 94' ' ' LYS . 51.2 mt -92.28 147.47 22.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.71 149.38 49.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 117' ' ' VAL . 39.1 p90 -143.98 170.49 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.7 ttt-85 -165.51 138.84 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -99.62 115.99 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.34 -39.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 -170.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -141.12 167.22 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.72 -177.85 4.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.53 145.02 32.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -176.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 67.61 5.94 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.32 -47.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.52 158.56 31.55 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 168.7 24.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 168.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -61.87 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -170.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -28.27 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.496 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.99 -43.12 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.47 -55.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.96 -34.1 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.89 -43.97 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.48 -34.46 64.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 99' ' ' TYR . 26.8 t -80.28 -49.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.8 -29.67 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 7.3 mttp -92.86 -49.36 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -174.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.71 -47.12 74.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD22 ' CE1' ' A' ' 132' ' ' PHE . 89.1 mt -57.07 -53.94 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.87 74.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.71 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -53.37 -32.68 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.785 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.5 m95 -91.29 -31.52 16.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 108.032 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.57 -24.76 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.58 -18.88 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.556 HG23 HG21 ' A' ' 242' ' ' ILE . 11.2 m -129.52 16.5 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 -173.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 49.4 p -146.48 160.79 40.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -8.91 20.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.458 HD21 ' CE1' ' A' ' 246' ' ' TYR . 78.4 mt -57.11 155.94 7.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -131.06 159.11 38.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 121' ' ' LEU . 90.7 m-85 -136.8 142.3 42.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 111.019 -174.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.5 m -138.18 146.97 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.59 147.55 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.11 129.46 43.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -87.73 -10.3 51.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -159.73 170.85 20.63 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.16 174.9 49.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.67 101.09 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.97 164.0 27.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.51 -38.19 90.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.377 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 92.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.223 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 mtt -91.64 85.2 5.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.78 122.42 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 m -143.32 126.71 16.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.5 m-30 -84.57 164.16 18.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.973 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.7 143.47 5.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.4 m -101.92 152.5 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 53.33 -176.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.5 122.16 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -122.02 11.18 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 -171.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.6 64.43 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD2' ' CE1' ' A' ' 155' ' ' TYR . 19.0 t0 -174.81 -179.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -65.61 -19.29 65.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -114.58 96.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 136.13 19.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -81.75 171.83 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.012 172.08 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.25 104.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.66 -173.59 3.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.074 169.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -178.78 4.41 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 61.4 -160.46 27.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.405 1.066 . . . . 0.0 110.993 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.41 -153.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -36.43 118.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 175.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.511 HD21 ' H65' ' A' ' 256' ' ' INH . 15.4 mt -88.48 -39.74 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.31 142.51 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.655 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -125.03 159.85 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.574 177.164 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.16 154.94 30.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -131.49 152.35 50.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 -168.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.706 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.28 172.54 0.74 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 173.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.99 153.27 41.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.8 . . . . 0.0 111.049 -177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.41 0.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.06 2.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -69.44 -13.48 68.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -169.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.44 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -90.49 -23.41 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.117 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.91 165.53 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.64 -36.58 3.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.69 168.77 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.84 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.655 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 19.8 m170 -112.69 137.13 51.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 0.0 109.615 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.507 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.0 m-85 -103.43 177.16 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 170.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -92.98 104.69 16.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.95 -23.11 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.34 49.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.25 151.28 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.44 154.28 38.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -143.04 154.79 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' HA3' ' A' ' 192' ' ' GLY . 17.1 p -137.88 170.63 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -110.09 18.01 20.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.87 176.48 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.1 p -73.95 74.16 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -135.98 -54.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.461 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -107.62 -131.91 6.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 176.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 77.3 m -85.12 82.53 8.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.417 169.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -43.66 107.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.77 -54.01 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 -173.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -50.74 -46.38 59.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 111.07 -176.535 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 218' ' ' LEU . 0.6 OUTLIER -55.77 -37.55 68.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.272 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 -31.48 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -69.6 -46.95 65.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.68 -23.03 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.264 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -75.79 -60.7 2.2 Favored 'General case' 0 N--CA 1.514 2.744 0 O-C-N 121.176 -0.953 . . . . 0.0 110.826 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.2 pp20? -53.39 -50.43 65.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.297 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.43 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -52.63 -39.15 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.488 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.65 -46.37 47.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.88 -39.43 93.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.804 . . . . 0.0 109.591 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 15.3 t -61.0 -39.58 90.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.76 -67.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.247 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 162.43 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.473 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.7 mt -119.53 170.11 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 211' ' ' HIS . 78.0 m-85 -158.36 162.41 37.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -38.95 118.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 4.6 m -74.76 -92.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.12 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.21 149.3 33.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.37 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.2 t -89.05 -19.29 25.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.41 -16.72 57.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.252 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -82.66 139.34 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.3 tpt -71.75 -13.92 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.1 t80 -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.99 61.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.36 132.77 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 178.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -69.54 145.4 52.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -168.06 123.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.581 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 39.4 m -105.8 167.07 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 23.9 tp -125.13 155.34 40.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.5 p -46.23 -45.05 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.7 122.45 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.373 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.7 -20.05 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -176.604 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 229' ' ' LEU . 11.5 t -61.75 -8.32 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -112.3 -6.47 14.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.387 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.669 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 4.5 t80 -54.6 153.13 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -157.96 157.48 33.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.785 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.0 mt -84.11 134.72 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 173.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 49.0 m -63.93 156.8 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -54.76 -28.2 46.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.44 -42.93 74.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -74.17 -46.52 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.693 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.36 -41.32 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -50.85 -45.98 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.21 -52.78 5.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -58.52 -26.26 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -174.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -87.31 -35.92 18.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.233 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 46.5 t -59.57 -26.11 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.4 mt -89.92 -19.49 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.458 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.5 m-85 -147.39 -90.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.74 118.51 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.97 28.1 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.05 31.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 177.23 8.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.64 144.47 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 61.7 m 48.03 69.76 2.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.71 30.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -153.45 172.68 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.002 -1.475 . . . . 0.0 110.427 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.774 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.8 165.89 26.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.0 p -134.41 135.29 42.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.32 170.92 0.84 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.39 -8.35 5.93 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HD23 ' A' ' 245' ' ' LEU . 67.6 mt 66.84 105.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.24 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.703 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.794 . . . . 0.0 111.013 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.4 pttt 177.53 123.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -64.58 151.26 45.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.27 -3.67 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.82 155.44 50.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.077 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -88.92 -30.4 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -74.09 84.17 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.566 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 130' ' ' LEU . 47.4 mt -84.65 150.11 25.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -177.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.13 148.12 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.373 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -142.45 168.07 20.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 111.065 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -167.58 133.6 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -93.55 117.94 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.25 -41.88 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -156.03 169.72 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.51 -171.85 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 111.03 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -115.52 142.95 29.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 -177.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.02 67.72 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -162.85 -47.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' A' ' 187' ' ' THR . 22.9 mt -103.43 159.72 28.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 165.54 31.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -64.12 -57.93 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.18 -35.69 62.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.12 -45.91 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.32 -53.35 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.98 -33.51 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.72 -33.14 54.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -43.15 -34.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 196' ' ' PHE . 11.0 mttp -90.39 -52.95 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.52 -42.99 67.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.06 -53.51 57.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.38 -35.69 74.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.583 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -30.6 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.749 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 96.2 m95 -93.08 -31.01 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 107.93 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.89 -23.68 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.2 -18.58 60.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.563 HG23 HG21 ' A' ' 242' ' ' ILE . 8.3 m -130.78 17.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -172.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.5 p -145.65 159.57 47.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.385 170.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.32 21.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 246' ' ' TYR . 82.2 mt -56.1 155.4 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -171.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.9 p -134.12 133.94 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.39 132.11 54.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -171.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -124.95 163.1 23.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -114.26 153.09 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -131.93 130.39 41.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -81.83 -9.07 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -152.09 173.22 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.31 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.14 -168.37 54.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -109.98 108.02 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.95 159.69 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.587 1.18 . . . . 0.0 109.364 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.68 -39.81 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -177.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.9 mt -115.94 83.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.19 86.2 6.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.27 148.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -155.38 157.15 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.946 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -114.93 129.37 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -141.66 171.61 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -174.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 149' ' ' ARG . 5.4 m -142.66 179.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.626 ' HG3' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 32.75 -144.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 175.118 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.8 94.57 0.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.648 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 35.4 p-80 -105.18 44.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.639 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 65.8 62.62 4.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 8.5 p-10 -172.37 -174.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -172.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.7 t80 -112.45 -4.51 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.055 . . . . 0.0 111.001 -176.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.62 86.68 15.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.4 Cg_endo -75.05 146.6 32.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.6 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 11.1 m-30 -102.96 130.48 50.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.79 -60.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -47.31 147.18 3.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 129.66 12.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.47 -126.99 8.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 44.92 -149.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 162' ' ' ASN . 10.6 t -34.09 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -31.26 13.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 173.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -176.28 142.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.564 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.3 p-80 -117.53 163.85 15.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -160.26 168.94 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 163.55 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.54 177.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 173.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 152.68 41.31 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.568 1.825 . . . . 0.0 110.983 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 174.62 -122.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -173.24 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 110.938 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -67.76 -14.27 64.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -20.3 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.336 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.08 164.7 15.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.05 -37.36 2.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -74.3 148.81 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -121.83 115.07 21.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -92.89 121.99 34.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 29.8 m-85 -90.16 148.92 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 171.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.8 t0 -82.18 101.32 10.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -23.35 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -78.82 48.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -165.5 158.19 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 45.7 tt0 -74.18 157.04 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 82.2 m95 -146.83 156.41 43.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.038 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.576 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.3 p -139.74 175.83 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 172.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -109.42 18.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -163.4 -166.34 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 226' ' ' LEU . 19.9 p -89.09 63.16 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 -176.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.2 t -137.58 17.54 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.473 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.576 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -179.72 -144.48 5.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 36.8 m -81.55 80.8 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 0.723 . . . . 0.0 110.397 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -49.21 115.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.51 -52.25 41.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.79 ' CD1' HD11 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -51.56 -35.28 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 -176.072 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.1 OUTLIER -81.66 -31.06 32.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.236 -172.514 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.423 HG22 ' H47' ' A' ' 256' ' ' INH . 56.8 t -76.11 -33.68 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 174.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.27 84.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -53.35 -50.9 64.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' HIS . . . . . 0.482 ' CG ' ' H44' ' A' ' 256' ' ' INH . 25.1 t60 -50.31 -58.71 5.04 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 121.136 -0.977 . . . . 0.0 110.872 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.466 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.4 mt-10 -48.18 -60.51 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.239 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.44 -43.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -46.81 -51.17 13.5 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 92.7 m-70 -62.67 -42.13 99.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.63 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 14.8 t -58.26 -38.59 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.14 -73.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.211 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.04 41.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.528 HD12 ' CH2' ' A' ' 124' ' ' TRP . 9.1 mt -114.0 168.84 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 58.4 m-85 -159.77 165.79 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -45.79 122.8 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 77.4 p -82.74 167.04 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.59 -26.03 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.2 147.09 46.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -100.91 -12.47 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.57 -24.54 56.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.15 161.46 26.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.65 -9.65 46.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.33 178.656 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.481 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.7 tpt -74.44 -27.03 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.6 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 65.7 t80 -46.93 140.55 6.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.6 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.94 60.64 5.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.569 1.826 . . . . 0.0 111.021 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -167.36 133.72 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 177.646 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -50.27 151.01 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -142.08 123.8 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.581 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.16 150.32 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 190' ' ' THR . 44.0 tp -140.36 137.62 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -40.71 -61.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.66 100.22 10.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -66.34 -19.49 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -177.069 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -5.88 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 231' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 229' ' ' LEU . 79.2 mtt180 -109.89 -5.49 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.533 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -64.5 143.41 57.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.006 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -157.22 156.89 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.749 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 16.2 mt -73.78 130.15 39.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 68.0 m -68.2 160.31 29.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.981 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -53.69 -33.29 54.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.57 -42.03 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -72.25 -42.04 66.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.57 -36.81 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -177.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -44.28 73.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.21 -54.99 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.431 1.082 . . . . 0.0 110.981 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.41 -46.21 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -175.159 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.12 -26.15 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.2 t -72.0 -30.82 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.581 1.176 . . . . 0.0 110.055 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 90' ' ' PRO . 3.6 mt -81.2 -18.4 46.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 130' ' ' LEU . 41.1 m-85 -139.27 -87.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.08 109.62 2.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.55 26.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.426 1.751 . . . . 0.0 110.998 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 165.43 31.38 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.53 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.094 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.62 144.44 56.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 33.4 m 64.87 151.99 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 120.05 5.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.543 1.812 . . . . 0.0 111.084 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -72.54 167.4 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.991 -1.48 . . . . 0.0 110.419 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.68 ' H48' HD11 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' HG ' ' A' ' 212' ' ' SER . 6.2 p90 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.532 0.206 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -176.89 178.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 245' ' ' LEU . 76.5 p -125.1 135.46 52.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.668 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -76.25 176.07 3.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.917 174.572 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.96 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.71 -13.76 5.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.3 mt 62.15 105.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 126.43 9.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.9 ptpt 170.25 123.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -67.21 167.5 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.16 . . . . 0.0 107.959 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -95.67 -2.58 47.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -129.56 151.86 49.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 p -86.52 -39.43 16.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -77.87 91.44 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.07 . . . . 0.0 109.591 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.46 167.1 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.01 149.92 52.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -141.81 173.75 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -166.15 140.31 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.82 115.87 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.31 -40.53 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -159.75 172.93 16.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.29 -175.22 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.58 144.04 28.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 -177.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -74.97 68.87 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -164.56 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -97.53 158.41 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.04 163.84 34.46 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 170.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.06 -58.5 7.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 -174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 -36.47 53.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.66 -46.21 89.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.73 -52.65 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.37 -36.02 52.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -63.68 -40.6 97.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -177.069 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.61 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 7.8 t -72.21 -58.59 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 176.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.19 -33.17 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' SER . 14.5 mtpp -79.32 -49.23 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -178.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.15 -36.19 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 15.9 mt -66.95 -51.82 50.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.208 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -58.96 -38.04 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.671 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -52.16 -39.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.7 m95 -89.61 -32.58 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -176.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -54.68 -22.5 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.85 -19.92 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.24 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.574 HG23 HG21 ' A' ' 242' ' ' ILE . 9.7 m -128.98 17.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -172.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.1 p -144.8 160.58 46.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 170.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 70.2 mt -61.78 155.94 21.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -131.75 165.04 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 171.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -137.03 125.59 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.5 t -108.34 162.13 14.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.07 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -105.7 147.81 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.21 140.29 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -105.97 -3.3 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -154.63 168.6 26.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.26 -168.48 54.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -108.99 111.44 23.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.257 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.35 160.62 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.31 -36.34 83.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.04 84.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.54 86.01 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.14 139.77 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 m -148.16 161.72 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.928 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.26 148.22 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 172.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -157.58 167.11 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.582 ' O ' ' C ' ' A' ' 149' ' ' ARG . 1.5 m -141.56 -174.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 174.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.582 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 26.48 -99.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 171.198 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -95.96 121.69 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.593 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 33.3 p-80 -156.32 32.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 174.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 83.12 -165.75 43.64 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.623 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.8 p30 48.97 -169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 0.803 . . . . 0.0 109.312 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -128.09 22.09 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -172.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.623 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.33 96.11 25.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 165.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.532 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 4.9 m-30 -112.3 131.99 55.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 159' ' ' GLY . 16.5 t70 -174.46 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 158' ' ' ASP . . . -35.93 135.04 0.58 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -175.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.26 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.398 1.736 . . . . 0.0 110.963 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.35 -121.33 6.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 43.96 -148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.361 175.034 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.5 t -34.1 110.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.426 HD11 ' C35' ' A' ' 256' ' ' INH . 9.9 mt -86.01 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.32 145.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.671 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.2 OUTLIER -120.38 161.94 20.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 178.409 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.18 164.26 36.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.85 161.3 35.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 -174.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.52 178.27 0.35 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.83 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 156.85 43.23 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.509 1.794 . . . . 0.0 111.076 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 170.21 -128.02 1.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -66.55 -14.39 62.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -170.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -26.92 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.3 m-20 -88.37 167.4 13.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.3 -38.86 2.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.37 160.19 29.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 0.725 . . . . 0.0 109.232 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.66 115.28 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.671 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 4.4 m170 -91.0 124.96 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.55 149.92 22.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.943 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.445 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 47.4 t0 -78.09 104.12 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ASP . . . . . 0.404 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -73.23 -24.46 60.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 176.744 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 49.4 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 176.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.33 153.26 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 61.1 tp60 -74.54 156.24 37.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.4 m95 -143.91 156.69 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' HA3' ' A' ' 192' ' ' GLY . 26.1 p -139.35 171.96 13.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -108.2 7.0 27.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -175.22 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 26.7 p -77.2 61.54 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 38.8 p -131.01 9.34 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.626 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 179.32 -138.98 3.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 97.3 m -81.18 77.67 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.419 172.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -41.63 105.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.04 -54.87 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.255 -171.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.511 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.4 t80 -47.41 -49.26 25.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.887 HD22 ' H48' ' A' ' 256' ' ' INH . 0.8 OUTLIER -51.36 -38.53 53.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -178.765 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.22 -35.73 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.14 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.97 -38.93 86.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -177.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 -56.24 24.8 Favored 'General case' 0 N--CA 1.515 2.789 0 O-C-N 121.205 -0.934 . . . . 0.0 110.819 173.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -52.19 60.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.401 HG22 ' NE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -56.61 -39.31 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.221 -179.301 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.43 -46.18 29.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 111.073 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 95.8 m-70 -68.14 -41.44 81.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 0.813 . . . . 0.0 109.594 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -61.19 -34.7 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 -70.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 166.38 57.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.457 HD12 ' CH2' ' A' ' 124' ' ' TRP . 51.4 mt -139.73 154.68 47.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 0.715 . . . . 0.0 109.323 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 211' ' ' HIS . 46.3 m-85 -143.03 165.37 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 210' ' ' PHE . 60.5 m170 -39.49 126.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.597 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.722 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 33.5 m -97.16 174.45 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -87.51 -41.64 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.87 147.29 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.3 t -94.31 -22.83 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -65.43 -24.89 67.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.696 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.913 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -85.19 -13.73 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.331 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.613 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.4 tpp -75.48 -21.83 57.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 176.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 36.0 t80 -49.68 138.35 17.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 176.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.94 57.23 4.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.081 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.96 132.46 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 178.347 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -74.49 142.76 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.23 123.94 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 55.5 p -97.92 -179.32 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.2 tp -142.96 151.79 41.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.9 p -45.97 -44.98 15.39 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.072 . . . . 0.0 110.432 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.17 98.97 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.788 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.62 -22.64 67.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -176.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 230' ' ' THR . 1.7 p -74.89 -5.1 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -106.49 -5.05 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.614 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.66 153.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.6 152.11 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 12.4 mt -72.57 149.02 44.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 176.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.696 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 78.2 p -84.98 167.41 15.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -57.68 -33.03 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -45.7 66.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.95 -48.83 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.54 -38.42 82.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.65 -47.2 67.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.46 -49.93 7.76 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -60.0 -24.58 30.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 0.738 . . . . 0.0 109.338 -175.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.51 -45.22 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.9 t -53.8 -28.91 37.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 90' ' ' PRO . 14.9 mt -82.56 -32.69 28.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 2.8 m-85 -140.97 -83.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 88.99 122.68 2.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.98 28.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.76 . . . . 0.0 111.068 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.87 8.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.96 161.06 31.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 43.6 t -153.21 78.01 5.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.67 4.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.57 -30.07 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.011 -1.471 . . . . 0.0 110.366 179.305 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.887 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.6 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 -61.63 171.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 p -132.52 -109.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.417 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.647 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 177.61 167.59 0.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -177.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.0 85.07 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.013 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.83 6.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -173.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt 66.96 118.35 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.9 126.81 10.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 49.5 pttt 172.73 123.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -65.65 164.36 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -87.66 -3.95 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -172.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 161.43 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.303 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 p -86.25 -29.91 22.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -85.4 102.79 13.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.92 161.63 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -176.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.87 159.6 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -150.92 169.22 22.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -166.31 129.67 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -90.63 111.88 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.21 -42.18 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -173.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -151.9 168.51 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -116.1 -177.28 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -113.92 142.05 27.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.382 -178.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.85 66.79 5.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.021 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -161.6 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.1 158.58 31.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.98 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 110.99 172.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -64.28 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.173 . . . . 0.0 109.368 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 115' ' ' SER . 0.0 OUTLIER -47.28 -39.42 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -178.561 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.57 -42.44 98.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -173.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.09 -55.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -54.95 -33.17 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' ASP . 5.8 t -62.13 -50.09 73.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -49.65 -38.13 31.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.55 -51.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -49.11 -28.33 4.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.4 mttm -89.67 -50.81 5.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -177.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.79 -46.68 74.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -56.71 -55.19 37.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -62.32 -30.8 71.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.594 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.88 -32.77 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -177.3 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.9 m95 -89.69 -28.22 19.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 108.02 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.19 -24.26 17.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 110.26 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.72 -19.23 52.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.601 HG23 HG21 ' A' ' 242' ' ' ILE . 10.7 m -130.4 17.89 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -174.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.7 p -145.12 158.35 52.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.15 19.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 173.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 31.0 mt -66.44 154.21 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -128.98 167.86 16.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 171.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.06 154.43 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.7 m -155.61 145.11 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -96.91 153.33 17.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.24 154.4 46.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -103.14 -4.19 24.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.51 167.96 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.26 -173.84 54.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -106.55 103.18 12.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.78 163.78 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.01 -46.1 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.3 mt -113.93 91.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -92.15 116.21 28.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.18 140.48 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.35 164.1 38.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.6 m-85 -122.17 147.55 46.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.82 143.19 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.15 157.1 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 169.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 49.93 -166.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.343 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.76 144.02 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.662 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 50.8 p-80 -160.66 36.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.643 -163.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 124.28 -94.34 0.48 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -70.95 -173.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.3 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.0 t80 -90.97 80.97 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -157.56 78.64 3.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.07 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.44 4.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.721 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.2 m-85 -82.53 -169.34 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 177.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 6.9 t0 84.4 115.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.656 1.223 . . . . 0.0 109.263 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 165.89 178.52 38.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.31 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.37 -105.8 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 49.31 -157.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 109.245 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.721 HG12 ' CE1' ' A' ' 157' ' ' PHE . 57.4 t -37.54 116.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 4.5 mt -91.21 -26.02 19.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 175.5 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -173.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.405 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 11.5 p-80 -145.11 170.28 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.618 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -149.62 172.33 15.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -122.26 158.18 30.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.29 166.17 0.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -74.98 123.19 7.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.573 1.828 . . . . 0.0 110.994 -170.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -176.98 169.54 41.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 154.87 42.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.792 . . . . 0.0 110.954 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.08 -120.96 5.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.54 1.15 . . . . 0.0 110.94 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -20.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 0.796 . . . . 0.0 109.256 -172.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.76 159.76 19.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.48 -37.24 2.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.18 146.67 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.242 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -112.47 117.78 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -98.37 130.9 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.534 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 21.8 m-85 -116.49 157.38 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 175.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -77.96 138.87 39.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -25.46 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.38 -25.03 59.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.02 151.55 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.9 155.76 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -139.79 155.91 47.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 108.008 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.6 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 38.2 p -141.54 161.78 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -99.83 14.69 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -163.06 -172.92 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.1 p -85.14 55.61 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 11.0 t -127.34 5.14 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.6 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -156.78 -143.55 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.057 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 194' ' ' ASN . 93.1 m -88.7 71.06 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.409 169.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 193' ' ' THR . 21.9 t-20 -34.91 113.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.52 -41.67 98.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -173.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -61.6 -39.74 92.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -174.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.934 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -62.0 -38.2 87.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 177.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.36 -32.76 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.5 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.78 -41.62 91.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' HIS . . . . . 0.827 ' CD2' ' H40' ' A' ' 256' ' ' INH . 68.5 t60 -58.23 -56.24 24.56 Favored 'General case' 0 N--CA 1.514 2.758 0 O-C-N 121.195 -0.941 . . . . 0.0 110.898 175.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.83 9.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -48.58 -42.03 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.9 -47.41 79.6 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 56.5 m-70 -62.19 -34.66 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.588 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.1 m -70.65 -39.05 73.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.67 -67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 163.14 45.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.545 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.9 mt -121.16 168.64 11.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 0.713 . . . . 0.0 109.358 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 40.8 m-85 -159.18 171.54 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -46.14 122.68 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 32.0 m -84.75 174.17 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.963 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.63 -39.48 16.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.419 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 8.4 t30 -59.43 146.5 39.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -99.42 -9.8 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.68 -4.73 40.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.88 159.53 24.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.203 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -82.67 -21.99 34.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 176.83 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.42 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.9 tpt -72.64 -15.07 61.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 11.6 t80 -59.15 145.26 81.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -16.73 20.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.002 -170.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 140.33 31.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -57.24 153.95 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -161.24 122.69 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.613 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 92.2 p -114.56 173.21 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.8 tp -140.26 147.29 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 6.4 t -47.35 -37.64 11.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.49 104.11 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -67.07 -17.49 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -174.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.6 t -61.51 -9.34 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -111.34 -6.13 14.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.677 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -48.1 145.9 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.2 mtm180 -154.72 151.33 28.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 176.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.801 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.9 mt -69.31 138.99 54.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 42.7 t -77.46 168.57 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.47 -28.06 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.253 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.92 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.26 -47.77 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.691 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -65.11 -35.35 75.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -49.16 -46.22 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.03 -53.96 4.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.9 OUTLIER -54.8 -45.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -174.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.8 m -71.37 -27.11 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.0 mt -86.56 -16.32 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.481 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 3.7 m-85 -153.57 -82.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 84.64 126.27 1.45 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.452 1.095 . . . . 0.0 110.939 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.81 28.41 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.99 8.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.76 8.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.56 159.01 35.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 4.1 m -162.73 79.02 1.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 73.99 4.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -168.28 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.321 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.061 -1.447 . . . . 0.0 110.412 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.856 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.6 ' N ' ' HG ' ' A' ' 212' ' ' SER . 31.6 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.523 0.201 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -67.87 167.23 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -127.39 134.0 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.95 171.87 0.81 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.14 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.749 . . . . 0.0 110.997 175.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.9 -11.66 3.65 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -173.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mt 66.17 99.54 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 110.949 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt 177.15 123.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -59.77 152.67 22.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.047 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -90.74 -4.25 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -123.8 151.93 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 p -91.35 -31.72 15.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -74.89 76.52 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.627 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.53 158.14 32.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.34 145.72 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.37 169.7 17.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -95.57 116.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -40.73 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.18 168.48 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.55 -177.97 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -113.29 141.11 25.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 -177.337 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 69.46 5.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.94 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.6 mt -100.81 159.41 29.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 170.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -60.42 -60.8 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.62 -36.56 62.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -175.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.78 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.33 -56.01 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -51.38 -33.98 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.4 t -60.18 -46.29 90.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.77 -33.1 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.42 -52.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -26.78 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 173.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 45.7 mtpt -90.11 -53.17 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -175.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.52 -48.31 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.88 -52.9 58.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -30.77 71.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -174.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.604 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -58.92 -35.34 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 242' ' ' ILE . 98.0 m95 -86.74 -33.17 20.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -52.01 -27.49 13.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.46 -18.38 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 242' ' ' ILE . 10.6 m -128.72 16.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -170.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 127' ' ' VAL . 2.6 p -151.64 162.84 25.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.426 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -7.52 19.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 110.937 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.442 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.9 mt -59.64 154.51 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.227 -170.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -136.74 134.53 37.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.75 137.18 47.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -126.9 164.11 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -113.35 153.16 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -132.76 135.29 45.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -89.18 -5.08 57.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.88 176.86 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.78 -149.84 31.99 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.15 100.54 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.793 . . . . 0.0 110.302 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.17 156.09 38.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -36.34 83.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.5 mt -118.47 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.6 mtt -91.15 90.29 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.2 149.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -155.09 158.64 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 23.5 m-85 -122.46 130.32 52.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.56 169.01 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.9 m -134.21 -169.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 170.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 38.51 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.18 103.2 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.497 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 37.7 p-80 -103.87 50.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 -176.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 67.87 63.53 3.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.725 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 4.9 p-10 -178.84 -170.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 -171.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.4 OUTLIER -125.3 14.73 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.725 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -114.28 93.54 31.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 167.055 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.13 31.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.3 m-30 -107.41 129.91 54.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 177.07 113.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.401 1.063 . . . . 0.0 109.315 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 151.27 144.97 4.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.027 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.1 3.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.47 -119.95 5.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 44.78 -152.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.0 t -38.11 115.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 193' ' ' THR . 1.7 mt -89.44 -37.18 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.91 144.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -122.69 167.34 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.601 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.28 173.0 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.438 ' OH ' ' CE2' ' A' ' 155' ' ' TYR . 26.1 m-85 -143.01 159.59 41.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -175.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -53.34 162.61 1.13 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -74.95 155.03 43.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -176.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.2 -171.14 28.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.39 37.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.86 -134.58 14.68 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -25.71 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -69.43 139.88 54.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.75 -30.27 6.69 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.555 1.16 . . . . 0.0 110.926 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 157.62 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.91 111.55 9.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -94.33 124.1 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 17.0 m-85 -98.93 145.51 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 43.5 t0 -74.96 107.04 6.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -74.74 -25.72 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.28 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.8 t70 -69.46 -11.73 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -106.24 141.4 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.02 153.67 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -129.51 157.47 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.569 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 23.6 p -146.67 162.53 38.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -104.24 13.55 32.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -175.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.15 178.82 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.9 p -74.8 68.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 24.9 p -133.71 -52.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.569 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.73 -133.9 8.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 176.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 194' ' ' ASN . 52.0 m -94.12 83.93 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 110.408 168.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 193' ' ' THR . 19.1 t-20 -37.1 109.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.39 -54.58 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.554 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -51.11 -41.66 60.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 111.039 -174.549 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.552 HD21 ' C13' ' A' ' 256' ' ' INH . 1.1 tt -60.95 -38.33 85.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.52 -34.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.85 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.8 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.58 -49.62 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' HIS . . . . . 0.427 ' CE1' ' H44' ' A' ' 256' ' ' INH . 21.4 t60 -52.83 -55.97 19.16 Favored 'General case' 0 N--CA 1.515 2.791 0 O-C-N 121.139 -0.975 . . . . 0.0 110.873 174.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -50.88 -61.41 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.254 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.51 -45.4 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.23 20.58 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.9 m-70 -68.39 -37.89 80.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.381 0.695 . . . . 0.0 109.556 -177.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 72.1 m -68.93 -29.3 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.97 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 242' ' ' ILE . 54.7 mt -73.16 -50.77 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.35 50.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.838 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.9 OUTLIER -155.08 132.3 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 174.025 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 211' ' ' HIS . 22.2 m-85 -115.84 -178.31 3.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -171.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 210' ' ' PHE . 61.4 m170 -37.82 133.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.568 -170.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 3.6 m -96.21 168.6 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.76 -34.08 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.43 149.47 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.8 p -102.17 -3.85 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.06 -15.65 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.432 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -84.63 152.92 23.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -80.71 -17.44 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.56 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -71.97 -18.85 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 177.517 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 43.2 t80 -55.61 136.65 70.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.92 61.68 5.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.07 128.81 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 176.213 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.55 149.88 41.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 110.933 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -167.72 122.53 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.576 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.1 t -87.92 165.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 227' ' ' THR . 41.9 tp -137.09 126.03 24.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 227' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 226' ' ' LEU . 68.2 p -34.23 -62.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 110.381 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.81 87.89 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 13.0 t -67.83 -12.6 60.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -112.5 -5.5 14.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -48.23 145.03 3.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -147.42 160.01 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 177.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.604 HD11 ' CG1' ' A' ' 123' ' ' VAL . 3.5 mt -80.93 133.87 35.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 175.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 51.8 p -67.74 169.0 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.074 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -31.61 64.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.04 -49.5 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.218 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 238' ' ' ASP . . . . . 0.414 ' CG ' ' HB1' ' A' ' 217' ' ' ALA . 63.2 m-20 -59.56 -40.77 88.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -71.5 -39.37 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -53.94 -44.2 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.32 -56.97 4.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.5 OUTLIER -54.3 -26.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -176.339 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -79.93 -43.03 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 53.9 p -58.83 -27.4 65.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.2 mt -91.02 -16.18 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.442 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.2 m-85 -149.16 -93.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.87 118.92 3.89 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.14 23.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.565 1.824 . . . . 0.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 123.41 7.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.086 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.04 7.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 110.958 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.15 148.76 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 35.8 t -155.42 76.89 4.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.004 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 73.74 4.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.48 -34.14 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.424 179.603 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.552 ' C13' HD21 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.8 p90 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.504 0.193 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -145.24 169.83 17.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -138.15 135.88 36.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.59 169.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 172.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.71 6.89 13.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.6 mt 58.02 101.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.376 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.636 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.94 129.1 12.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 pttt 178.85 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -69.17 150.65 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.03 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.2 -4.59 59.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 151.61 48.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -90.29 -33.91 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -79.41 84.43 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.44 158.71 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.0 150.46 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -141.58 174.29 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -160.82 149.94 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -109.36 118.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 173.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.92 -40.94 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -159.56 172.5 17.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.26 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -176.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.65 142.78 25.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 -176.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 64.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.583 1.833 . . . . 0.0 110.959 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -157.72 -49.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.37 158.3 34.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.95 163.59 35.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.058 170.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.55 -59.49 5.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.51 -35.48 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.74 -46.27 86.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.01 -53.84 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.9 -39.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.3 t -54.95 -42.89 72.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 -177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.05 67.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.45 -53.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -30.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 115' ' ' SER . 5.8 mtpp -88.48 -53.91 4.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.42 -46.55 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.04 -53.88 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -30.36 71.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -171.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.79 -32.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -178.49 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.775 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 95.7 m95 -87.44 -24.83 24.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -23.77 40.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 -20.89 55.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -176.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 242' ' ' ILE . 5.5 m -129.5 13.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -171.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.0 p -145.09 159.77 48.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 246' ' ' TYR . 51.4 mt -63.04 153.27 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -167.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.5 p -134.74 135.59 42.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 172.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -110.77 147.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -171.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.9 m -143.12 153.71 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.89 152.65 21.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.8 mt -125.71 138.11 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -76.12 -13.36 60.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.97 170.11 15.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.17 160.86 36.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.62 90.59 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.75 167.99 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.45 -36.54 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.8 91.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.01 80.86 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.052 . . . . 0.0 110.977 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.17 141.69 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.9 t -155.28 158.26 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.15 145.05 40.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 174.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.05 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.4 m -105.06 170.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.39 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.3 ptt85 42.15 -162.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.37 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.27 126.68 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.1 p-80 -134.24 47.01 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.645 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 69.81 -157.51 53.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.533 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 2.5 p30 48.61 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.3 t80 -101.36 -5.98 24.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -174.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.642 ' CD1' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.57 91.98 35.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 178.172 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.21 16.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -109.6 157.43 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 173.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -138.77 77.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 54.08 -156.81 6.32 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.587 1.179 . . . . 0.0 111.011 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.33 14.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.72 -162.25 34.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.55 -149.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.444 HG12 ' CE1' ' A' ' 157' ' ' PHE . 35.6 t -37.13 115.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 172.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.65 -41.46 15.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.63 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -171.85 142.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 173.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -125.75 158.64 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 -177.491 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.91 163.24 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.384 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.642 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 9.2 m-85 -139.2 156.48 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -55.18 174.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.04 170.16 21.03 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.41 -135.73 4.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -171.75 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.59 -14.53 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 174' ' ' ILE . 0.3 OUTLIER -83.14 -36.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.334 179.514 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.3 m120 -87.5 163.54 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.74 -37.58 2.95 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.549 1.156 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 66.2 t0 -65.7 149.93 49.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -126.41 120.49 29.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 16.3 m170 -98.14 126.08 43.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.569 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 27.9 m-85 -96.71 174.47 6.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 171.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.62 130.27 45.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 -21.86 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.36 51.4 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -161.8 154.2 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 55.7 tp60 -74.7 154.21 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.497 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 92.6 m95 -146.68 156.01 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 192' ' ' GLY . 5.7 p -140.77 177.09 8.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -117.24 26.07 10.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.42 178.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 226' ' ' LEU . 1.5 p -75.04 72.03 2.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -134.02 -48.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.57 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.8 -135.32 5.33 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 194' ' ' ASN . 30.3 m -80.28 79.03 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.388 172.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 193' ' ' THR . 50.0 t-20 -34.82 108.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 69.8 tp -64.73 -65.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.82 -49.51 10.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 197' ' ' LEU . 1.6 tm? -55.61 -35.63 66.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.239 -176.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.64 -34.21 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.92 92.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.361 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.817 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.43 -51.59 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -177.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -44.07 -55.38 4.76 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.157 -0.965 . . . . 0.0 110.827 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.63 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.7 mt-10 -51.24 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.07 -34.62 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.02 -48.5 38.52 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 96.1 m-70 -67.33 -41.45 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.573 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 45.2 t -55.91 -39.67 71.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.046 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.99 -63.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 156.24 49.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.567 HD12 ' CH2' ' A' ' 124' ' ' TRP . 11.4 mt -122.2 168.92 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -156.45 168.75 26.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -42.88 120.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 58.5 p -86.63 174.45 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.5 -37.48 15.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.05 148.27 44.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.5 t -97.67 -19.73 18.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.71 -4.87 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -81.34 -179.48 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.2 OUTLIER -95.38 -43.72 7.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -174.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 93.8 mmm -66.58 -17.04 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.7 t80 -43.41 137.55 2.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.36 133.41 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.8 144.35 56.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.102 . . . . 0.0 110.937 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -169.83 124.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.599 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.51 ' OG ' HG22 ' A' ' 190' ' ' THR . 1.6 t -120.38 134.52 55.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.671 ' O ' HG21 ' A' ' 190' ' ' THR . 46.3 tp -82.77 130.01 35.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 227' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 226' ' ' LEU . 60.1 m -36.46 -60.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.17 90.7 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.83 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -62.1 -24.53 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -175.656 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.443 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -63.34 -19.26 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -177.547 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -97.78 -5.52 34.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.713 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 8.5 t80 -47.0 152.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -158.0 158.23 34.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.775 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 61.4 mt -83.28 127.94 34.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 173.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 36.3 t -73.53 166.51 23.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -35.83 70.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 -174.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.29 -44.29 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.07 -41.65 73.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -68.9 -35.63 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -44.42 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -81.94 -53.14 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.7 OUTLIER -54.3 -46.2 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -174.231 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -26.64 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -175.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 29.5 t -72.56 -30.41 64.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.4 mt -84.06 -17.75 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 130' ' ' LEU . 51.2 m-85 -137.87 -87.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.95 110.92 2.4 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 168.36 25.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 164.88 32.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 177.87 7.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.86 165.79 22.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -58.63 -54.51 55.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -176.263 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.93 70.48 5.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.017 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -71.97 101.65 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.019 -1.467 . . . . 0.0 110.451 179.737 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.531 ' H48' HD11 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.68 ' N ' ' HG ' ' A' ' 212' ' ' SER . 2.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.526 0.203 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -177.81 177.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.218 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.5 p -116.15 136.07 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.628 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 172.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.628 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.03 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 -173.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.91 -10.73 6.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -170.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.0 mt 63.95 112.67 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.312 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.816 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -74.99 128.45 11.5 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.1 pttp 173.75 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.41 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 61.0 m95 -73.94 156.79 37.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.011 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.13 -3.69 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -141.03 155.19 46.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -178.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 p -89.14 -28.85 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -74.22 80.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD11 HD13 ' A' ' 130' ' ' LEU . 45.7 mt -78.75 157.19 28.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -175.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.21 154.3 49.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.357 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -149.26 171.01 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 110.964 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -160.92 145.34 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.62 117.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.45 -39.31 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -162.64 173.39 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.35 -168.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -114.82 142.05 27.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -177.349 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -75.06 67.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -161.97 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -101.39 159.2 30.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 163.43 35.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 170.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -63.14 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -174.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.12 -37.44 54.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.76 -46.56 84.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.39 -51.93 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.61 -34.26 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -64.13 -41.97 97.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.52 -36.52 71.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.87 -55.14 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.44 -31.11 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 36.3 mtpt -82.25 -55.06 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.99 -38.55 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.57 -49.25 71.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.755 HG13 HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.81 -34.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -178.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.891 ' CE3' HD13 ' A' ' 242' ' ' ILE . 82.9 m95 -91.69 -34.57 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -57.53 -23.21 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.265 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -17.53 51.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 242' ' ' ILE . 20.0 m -126.91 20.67 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -174.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 242' ' ' ILE . 68.3 p -146.59 159.36 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.393 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.961 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 97' ' ' LEU . 29.2 mt -60.66 153.05 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -172.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 134.25 40.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -103.67 130.77 51.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.968 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -120.6 150.96 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.081 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -91.82 156.11 17.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.4 mt -134.59 115.4 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -60.74 -22.47 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.53 165.06 21.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.69 173.64 24.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.8 99.68 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.09 162.04 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.43 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -63.17 -47.84 80.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -178.199 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.23 86.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.64 95.68 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.85 144.34 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -155.1 163.35 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -118.19 137.63 52.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 173.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.64 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -148.41 167.27 25.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -175.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.526 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.3 m -137.11 174.94 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 171.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.9 OUTLIER 33.67 -145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 178.394 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.49 100.75 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.64 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 36.1 p-80 -107.73 8.36 28.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.632 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 157.26 -90.74 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 4.7 t0 -72.34 -171.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -92.33 75.93 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.573 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.7 67.25 4.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.2 Cg_endo -75.02 131.32 14.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.415 1.745 . . . . 0.0 110.973 -171.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 8.5 m-30 -87.2 128.55 35.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.93 -76.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -171.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.18 2.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.43 24.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.13 -162.91 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -157.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.65 118.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.468 HD11 ' C35' ' A' ' 256' ' ' INH . 13.6 mt -86.97 -36.63 18.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 180' ' ' PHE . . . -171.37 144.74 2.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 173.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.411 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -118.69 174.1 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 176.147 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.97 164.25 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 176.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -114.61 171.32 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.52 171.13 5.49 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 177.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -74.99 149.5 36.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 141.86 178.26 17.8 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 162.55 37.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.402 1.738 . . . . 0.0 110.975 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 76.55 -133.0 13.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 174.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -26.3 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -177.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.63 151.28 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.75 -32.89 4.37 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.5 39.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.715 . . . . 0.0 109.353 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.4 111.31 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -95.45 121.76 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 22.1 m-85 -91.46 155.01 18.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.405 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 56.5 t0 -82.34 105.48 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.32 -24.33 59.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.415 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.6 OUTLIER -82.38 47.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.279 176.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.79 150.68 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 0.0 110.264 -177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -74.6 155.18 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.342 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.83 156.71 45.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 108.023 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.5 p -144.97 159.87 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.47 28.19 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.13 177.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.4 p -69.96 74.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.6 p -139.73 -48.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -108.96 -132.55 6.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 194' ' ' ASN . 22.5 m -91.38 89.06 7.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 0.723 . . . . 0.0 110.383 168.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 193' ' ' THR . 18.2 t-20 -42.76 111.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.14 -45.67 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -60.96 -38.35 85.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -174.574 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -61.69 -38.52 88.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.34 -32.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.16 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.762 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.4 -47.91 82.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -49.8 -55.95 12.19 Favored 'General case' 0 N--CA 1.514 2.737 0 O-C-N 121.153 -0.967 . . . . 0.0 110.899 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.407 ' OE1' ' CE2' ' A' ' 180' ' ' PHE . 3.1 mt-10 -50.51 -63.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 110.373 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.91 -36.68 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -45.5 -45.17 11.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 29.8 m-70 -66.17 -40.18 90.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.581 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.9 t -62.16 -44.57 96.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 242' ' ' ILE . 39.4 mt -70.38 -53.47 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -172.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 144.61 56.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 172.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 1.015 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -153.46 141.03 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.325 166.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 211' ' ' HIS . 41.5 m-85 -118.22 -175.37 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 210' ' ' PHE . 55.3 m170 -37.93 126.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.68 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 3.0 m -95.08 173.31 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.81 -42.33 15.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.296 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.56 148.53 23.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 64.2 p -95.97 -26.09 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.38 -15.89 60.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.52 159.61 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -27.83 19.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -176.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.544 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -63.45 -18.79 64.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 178.118 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.44 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 44.8 t80 -59.9 138.16 90.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 64.39 6.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -177.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.16 139.39 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -75.6 144.74 41.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -171.83 123.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -100.84 135.23 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.81 164.0 27.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -41.81 -35.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -145.03 116.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.364 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.765 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -68.51 -22.58 64.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -174.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.78 -14.03 61.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -114.27 -5.58 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.707 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -43.22 143.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.476 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 2.8 ttp180 -143.94 161.63 38.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 176.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -84.57 135.66 34.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 177.506 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.2 t -68.69 168.19 13.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.28 70.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -55.08 -44.48 74.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.14 -51.83 61.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.788 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -61.06 -35.86 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 240' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 239' ' ' ILE . 32.2 t-20 -36.48 -48.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.64 -50.11 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 1.015 HD12 HD21 ' A' ' 209' ' ' LEU . 0.1 OUTLIER -59.62 -19.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -174.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.84 -43.85 7.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 28.9 t -58.42 -36.47 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 110.006 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.2 mt -84.92 -15.56 44.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.41 ' CE1' HD21 ' A' ' 130' ' ' LEU . 19.8 m-85 -150.83 -93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.29 127.1 1.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 166.69 28.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.3 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 111.091 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -65.91 154.9 38.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 67.6 m 48.88 70.27 2.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.063 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 71.11 5.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.043 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.2 -46.29 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.031 -1.461 . . . . 0.0 110.397 179.602 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.632 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.487 0.184 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -69.7 -179.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -148.9 144.19 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.2 OUTLIER -57.15 169.71 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 170.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 173.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.21 -9.21 4.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 245' ' ' LEU . 67.7 mt 67.51 103.22 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.514 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.8 pttt 178.93 122.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.41 143.86 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -80.33 -8.43 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -114.07 155.9 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.6 p -93.62 -32.16 14.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -80.98 89.72 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 130' ' ' LEU . 50.9 mt -87.3 161.56 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.01 152.77 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -146.3 176.11 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -165.42 151.47 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG21 ' A' ' 117' ' ' VAL . 2.0 mm -108.83 116.42 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.98 -43.06 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 13.9 p-10 -152.98 170.94 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -133.34 156.14 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -76.21 144.06 74.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -175.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.94 74.04 4.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.94 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.364 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.61 157.46 35.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.584 1.178 . . . . 0.0 109.276 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.509 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 163.87 34.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 170.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.47 -60.89 3.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.16 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.49 -46.14 87.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.243 -176.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.4 -51.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.43 -34.83 62.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -60.48 -43.56 96.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.97 -45.16 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 101' ' ' ILE . 31.1 t -68.67 -54.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -43.65 -37.88 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.5 mttt -74.12 -51.95 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.83 -36.26 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.3 mt -67.22 -52.79 36.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.76 -34.78 76.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.615 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -54.04 -40.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.716 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.9 m95 -84.57 -31.83 24.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.99 -24.52 39.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -19.14 58.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 6.4 m -130.68 18.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.429 ' CG2' HG12 ' A' ' 242' ' ' ILE . 75.8 p -145.77 159.97 45.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 170.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.22 21.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.622 HD13 HD11 ' A' ' 97' ' ' LEU . 84.4 mt -57.51 154.68 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -136.45 134.54 37.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.47 124.82 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -105.99 163.34 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 144.47 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.89 133.46 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -97.52 -4.72 37.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -152.7 164.7 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.34 174.0 45.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.09 . . . . 0.0 111.049 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -92.93 95.47 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.297 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.82 162.02 7.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.69 -37.2 86.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.3 mt -115.4 84.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.69 84.45 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.43 137.35 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 t -151.39 163.88 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -175.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -116.08 156.85 25.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -158.87 142.72 15.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.6 m -107.92 159.23 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 48.4 -156.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.6 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.5 p-80 -135.43 26.47 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.635 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 87.08 -161.64 33.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 152' ' ' GLY . 2.3 p30 48.75 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 0.811 . . . . 0.0 109.339 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.5 t80 -97.26 -4.83 38.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -116.51 85.5 16.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 177.187 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 1.7 m-85 -113.34 -178.37 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 172.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 0.9 OUTLIER 158.76 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 172.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -55.29 148.86 24.37 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -169.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 149.93 37.95 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.573 1.828 . . . . 0.0 111.063 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.45 -139.13 28.61 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 45.51 -151.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.335 178.26 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -34.91 113.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 174.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.485 HD11 ' C35' ' A' ' 256' ' ' INH . 13.9 mt -89.98 -35.32 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.76 142.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.0 p-80 -133.64 161.35 34.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.58 174.61 15.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.2 OUTLIER -141.55 137.01 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 -175.261 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.712 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -56.86 155.4 15.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.72 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -171.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -164.12 -86.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.071 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -81.48 -12.41 81.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 -171.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 174' ' ' ILE . 0.0 OUTLIER -90.9 -17.61 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.731 . . . . 0.0 109.23 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.93 174.01 9.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.23 -32.38 5.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.13 27.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.62 121.03 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -96.86 124.66 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.573 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 22.3 m-85 -105.8 162.85 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.976 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.55 127.15 36.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.5 -13.51 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 148' ' ' VAL . 1.1 t0 -92.38 36.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.07 165.54 27.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -82.48 154.85 24.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -149.2 153.44 37.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.585 HG21 ' N ' ' A' ' 192' ' ' GLY . 3.1 p -139.47 178.04 7.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -115.44 19.7 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.39 177.81 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 p -74.79 71.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 19.2 p -133.24 -46.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.417 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.585 ' N ' HG21 ' A' ' 187' ' ' THR . . . -118.9 -133.14 4.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.5 m -86.54 74.23 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.433 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 193' ' ' THR . 38.8 t30 -39.69 107.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.4 tp -56.42 -49.82 73.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -51.18 -44.38 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.823 HD22 ' H48' ' A' ' 256' ' ' INH . 0.8 OUTLIER -55.94 -39.17 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.03 -32.97 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.86 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.777 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.36 -48.27 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -56.6 -51.08 70.03 Favored 'General case' 0 N--CA 1.515 2.798 0 O-C-N 121.18 -0.95 . . . . 0.0 110.883 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 5.5 mm-40 -51.1 -59.97 3.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.78 -36.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.25 -46.4 43.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.875 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 67.8 m-70 -63.9 -37.89 89.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.9 t -69.61 -27.94 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.03 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.46 -101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -148.82 25.03 1.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 19.0 mt -122.38 169.23 11.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.621 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 17.2 m-85 -146.08 -55.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.055 . . . . 0.0 110.982 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -152.76 154.5 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 m -124.16 166.92 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.47 -30.71 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.75 148.1 40.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -95.77 -17.48 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.443 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.23 -23.89 63.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 238' ' ' ASP . . . -79.28 159.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -177.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -88.03 -20.08 26.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.7 tpt -69.38 -18.7 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 178.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.575 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 57.7 t80 -51.82 138.62 32.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 176.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 62.31 5.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.5 OUTLIER -168.27 132.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 176.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -51.44 154.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -139.71 168.31 20.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 1.061 . . . . 0.0 109.547 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 65.4 p -166.63 164.21 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.015 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.58 154.0 33.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.5 m -50.42 -34.55 24.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -139.75 105.93 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -68.61 -23.46 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -175.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.487 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -64.42 -10.5 25.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -106.61 -5.48 18.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.686 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -58.22 145.85 35.91 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 5.2 ttt180 -155.84 155.79 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.716 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 21.8 mt -71.59 131.42 43.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 84.2 p -73.34 166.69 22.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -36.21 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.7 -43.04 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' ASP . . . . . 0.669 ' OD1' ' HB1' ' A' ' 217' ' ' ALA . 86.1 m-20 -70.72 -42.16 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -174.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -67.82 -35.97 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -51.0 -43.34 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.46 -58.97 2.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -53.12 -45.67 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.328 -174.215 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.05 -24.7 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 45.0 t -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 89' ' ' ILE . 1.2 mt -79.12 -20.01 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 130' ' ' LEU . 32.3 m-85 -144.38 -90.6 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.74 116.7 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.77 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.409 1.742 . . . . 0.0 111.018 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.97 32.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.38 8.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.56 144.5 51.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 56.8 m 48.04 68.09 3.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 64.5 6.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -104.08 143.79 32.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.995 -1.479 . . . . 0.0 110.448 -179.678 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.823 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.0 p90 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.495 0.188 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -151.52 171.55 17.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -134.55 134.55 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.72 171.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.88 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.07 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.9 -10.8 4.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.4 mt 66.31 102.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.328 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 pttp 178.96 122.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.25 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -63.54 150.99 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 107.989 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -85.41 -3.68 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.08 153.69 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -87.01 -31.61 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -74.95 86.03 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.58 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.9 mt -83.5 160.37 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.35 156.75 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -149.5 171.48 16.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -160.46 147.09 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.97 117.21 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.358 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.72 -38.43 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -163.0 168.31 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 -166.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -175.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.88 139.19 23.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 59.43 5.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -154.74 -47.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.13 157.71 33.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.31 25.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.29 -64.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -36.25 20.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.37 -46.24 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.16 -53.78 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.14 -35.87 60.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 119' ' ' LYS . 4.0 t -59.07 -48.8 80.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.24 -37.44 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.93 -51.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -47.27 -29.91 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.1 mttm -89.0 -51.66 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.33 -43.19 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.228 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.2 -54.34 45.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -32.37 72.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.186 . . . . 0.0 109.379 -172.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.28 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 242' ' ' ILE . 96.7 m95 -88.8 -31.37 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.53 -23.17 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.07 -18.25 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 128' ' ' THR . 13.2 m -128.72 14.75 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -173.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -155.68 161.61 29.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 169.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.08 19.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 246' ' ' TYR . 60.7 mt -60.63 152.76 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.6 p -130.88 167.53 18.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.369 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.01 155.32 50.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.3 m -154.24 146.88 24.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.927 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -92.53 150.49 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.363 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.97 113.5 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.73 -23.7 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -157.19 167.96 28.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.93 -176.87 29.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.15 104.88 15.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.557 0.798 . . . . 0.0 110.353 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.13 164.01 21.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.2 87.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.8 mt -112.65 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.59 92.17 8.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.04 142.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -149.36 157.07 43.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.078 . . . . 0.0 110.01 -176.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 13.0 m-85 -119.23 144.14 46.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.4 144.45 10.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.81 156.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 49.53 -173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 110.281 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.6 140.22 8.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.694 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 24.0 p-80 -147.11 30.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.579 -166.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 128.22 -91.51 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.483 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER -71.01 -173.44 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -176.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.5 t80 -87.12 76.71 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -152.25 72.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 174.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.28 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -168.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.499 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -47.03 158.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 166.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.19 -70.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 177.13 -132.3 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.3 24.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.36 -155.29 43.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.0 -153.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 178.588 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.499 HG12 ' CE1' ' A' ' 157' ' ' PHE . 25.6 t -37.26 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 175.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.513 HD21 ' H69' ' A' ' 256' ' ' INH . 21.7 mt -81.52 -42.65 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.569 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -173.05 143.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.356 176.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -123.69 166.85 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.82 166.86 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.73 153.32 50.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -51.43 170.5 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -75.03 157.62 42.55 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 163.19 -130.4 2.23 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.912 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.86 -17.05 60.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.403 1.064 . . . . 0.0 110.988 -169.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 4.3 tp -82.4 -32.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.261 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.2 m-20 -90.03 160.21 16.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.13 -36.27 3.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.63 158.54 29.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 0.813 . . . . 0.0 109.267 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.55 121.49 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -104.15 123.11 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.573 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.562 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 28.3 m-85 -98.66 171.28 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 174.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -97.89 132.48 43.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -18.93 17.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.39 51.84 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -172.08 147.15 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 48.7 tp60 -71.54 153.62 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 110.219 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.512 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 89.0 m95 -136.26 157.06 47.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 108.066 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.613 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -135.61 171.25 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -113.1 19.23 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.85 177.73 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 16.8 p -76.83 66.55 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 110.433 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.1 p -127.54 -50.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.613 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.19 -134.39 6.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.044 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.492 HG21 HD22 ' A' ' 164' ' ' LEU . 94.9 m -85.08 84.58 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 0.728 . . . . 0.0 110.459 171.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -49.66 108.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.84 -43.69 97.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -60.7 -40.17 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.827 HD22 ' H48' ' A' ' 256' ' ' INH . 0.6 OUTLIER -61.75 -38.32 87.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.59 -33.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.54 -50.15 74.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -48.07 -58.89 3.86 Favored 'General case' 0 N--CA 1.515 2.794 0 O-C-N 121.208 -0.932 . . . . 0.0 110.877 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.569 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 3.1 mt-10 -51.44 -60.87 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.41 -39.56 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.68 -46.04 47.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.06 -43.94 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.659 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 69.2 m -57.11 -41.12 78.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 242' ' ' ILE . 75.6 mt -65.47 -58.82 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.09 52.69 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 242' ' ' ILE . 0.4 OUTLIER -155.93 142.63 18.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 172.201 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -119.09 -177.05 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -172.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -41.74 137.73 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.628 -173.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 213' ' ' ALA . 96.0 p -90.01 -105.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 212' ' ' SER . . . -174.92 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.83 147.73 37.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 14.2 t -88.59 -20.61 24.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.438 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.37 -18.02 59.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.26 171.76 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -104.95 -36.15 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -176.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.89 -18.61 63.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.539 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 13.1 t80 -44.07 144.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.03 -39.77 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 222' ' ' LEU . 1.9 tm? -73.28 131.02 41.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 223' ' ' TYR . . . . . 0.401 ' N ' HD13 ' A' ' 222' ' ' LEU . 39.6 t80 -48.19 152.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -149.09 160.33 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.539 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 31.6 t -158.98 179.73 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 226' ' ' LEU . 12.9 tp -153.1 147.61 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.3 t -56.73 -28.03 60.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -141.47 108.18 5.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -86.35 -17.08 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -171.571 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 4.9 p -64.16 -6.02 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -117.81 -5.89 11.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.706 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -44.64 144.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -177.715 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.468 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 1.9 ttt85 -151.43 157.17 42.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 123' ' ' VAL . 11.5 mt -77.52 136.85 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 176.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 46.6 t -77.71 166.62 22.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -34.02 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -55.48 -41.07 72.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -75.29 -43.08 53.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.652 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -65.79 -33.92 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 -177.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -47.44 -47.56 26.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.3 -55.97 3.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -173.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 209' ' ' LEU . 0.6 OUTLIER -51.13 -47.45 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.279 -175.574 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.49 60.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.4 t -70.92 -32.82 69.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.013 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.26 -16.91 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.467 ' CE1' HD21 ' A' ' 130' ' ' LEU . 33.8 m-85 -148.59 -90.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.41 120.03 4.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.77 26.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.47 7.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.758 . . . . 0.0 111.035 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.62 161.3 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.371 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 36.3 t -65.57 142.4 98.28 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.092 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.51 12.65 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.514 1.797 . . . . 0.0 110.97 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -67.52 -24.42 65.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.361 178.139 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.827 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 p90 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.527 0.203 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -171.56 175.32 4.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.332 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.1 p -130.52 135.57 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.55 171.65 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 170.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 3.61 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.11 8.62 8.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp 54.17 95.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 129.02 11.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.052 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 176.11 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -62.82 146.99 51.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 108.011 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -81.71 -3.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.57 157.86 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 p -89.92 -30.09 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -77.66 87.7 3.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.61 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 130' ' ' LEU . 24.6 mt -86.11 152.59 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -178.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.04 150.4 48.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -144.65 173.59 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -161.42 152.46 18.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.68 116.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 172.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.27 -41.08 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -157.45 172.83 17.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -128.95 -176.81 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -106.72 143.52 27.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -175.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.96 63.71 5.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -158.13 -48.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 108' ' ' LEU . 24.0 mt -102.34 158.75 31.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 171.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -65.96 -59.6 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.4 -37.03 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.56 -45.89 90.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -175.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.25 -52.05 52.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -33.5 52.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -65.45 -42.91 91.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.76 -39.87 71.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 13.3 t -71.21 -56.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 177.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -44.6 -33.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' SER . 37.2 mtpt -79.08 -50.09 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.191 . . . . 0.0 109.306 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.79 -36.96 67.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.1 mt -66.67 -50.45 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.676 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.5 t -52.96 -40.23 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.877 ' CE3' HD13 ' A' ' 242' ' ' ILE . 76.8 m95 -85.13 -33.34 22.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.4 -22.71 54.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.08 -19.02 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.522 HG11 ' CG1' ' A' ' 239' ' ' ILE . 13.3 m -127.79 19.47 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.286 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.451 ' CG2' HG12 ' A' ' 242' ' ' ILE . 33.5 p -145.35 157.64 52.47 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 169.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -8.3 20.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.017 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.539 HD13 HD11 ' A' ' 97' ' ' LEU . 57.3 mt -59.81 154.66 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 -171.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.38 134.72 44.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.416 ' HB3' HD13 ' A' ' 121' ' ' LEU . 95.3 m-85 -107.25 147.5 30.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -142.54 147.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -99.01 148.82 23.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.236 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.15 121.97 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -60.79 -25.59 66.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 111.05 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.47 163.12 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 122.93 -147.22 16.71 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -128.51 81.14 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 0.808 . . . . 0.0 110.319 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.34 156.61 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.32 -56.12 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mt -98.71 91.87 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.87 87.33 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.412 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.6 mp -74.88 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -149.75 168.35 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -125.48 154.1 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -163.89 143.06 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.9 157.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 50.74 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -47.1 111.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 55.5 p-80 -111.26 47.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 170.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 71.83 -153.53 50.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -172.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.3 p30 48.64 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 174.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.7 t80 -107.72 1.43 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -174.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.568 ' CD2' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.95 94.99 45.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.0 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.431 1.753 . . . . 0.0 111.001 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.48 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -141.83 -170.27 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 -179.701 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 10.5 t70 81.09 115.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.187 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 171.7 178.96 42.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 80.4 2.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.999 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.19 -102.8 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.32 -155.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.254 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.48 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.1 t -39.37 123.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -38.19 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.469 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -170.51 145.87 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.47 168.16 20.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.639 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -153.76 177.86 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.568 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 57.5 m-85 -147.7 152.31 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -47.95 173.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 157.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.095 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 162.47 -136.2 4.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.389 1.056 . . . . 0.0 111.023 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -168.87 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.7 56.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -168.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.58 -34.66 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 9.2 m120 -91.39 154.49 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.66 -36.93 3.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 16.1 t0 -72.85 144.71 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -113.31 123.25 49.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -97.52 127.76 43.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.653 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 202' ' ' GLU . 17.1 m-85 -112.78 160.97 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 15.4 t0 -87.41 135.15 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 173.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.93 -23.67 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -18.13 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 154.19 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.33 156.26 37.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -144.49 153.71 42.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 107.959 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.677 HG21 ' N ' ' A' ' 192' ' ' GLY . 25.1 p -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 176.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -97.27 -20.46 17.87 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -141.91 -166.23 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.0 p -76.13 74.69 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.1 p -131.85 -47.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.677 ' N ' HG21 ' A' ' 187' ' ' THR . . . -123.11 -131.57 3.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 111.03 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 194' ' ' ASN . 99.5 m -82.61 79.33 9.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 56.3 t-20 -41.18 111.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.17 -56.8 16.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.522 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.3 t80 -47.91 -50.02 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -175.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.947 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -50.19 -38.22 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.923 HG12 ' OE1' ' A' ' 202' ' ' GLU . 61.6 t -79.01 -38.83 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.948 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.94 -47.27 81.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -50.24 -50.86 48.66 Favored 'General case' 0 N--CA 1.515 2.788 0 O-C-N 121.183 -0.948 . . . . 0.0 110.839 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.923 ' OE1' HG12 ' A' ' 198' ' ' VAL . 1.8 mp0 -52.33 -63.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 mp -49.52 -41.71 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.31 -46.97 43.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 80.1 m-70 -64.28 -36.65 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.549 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.9 m -67.94 -34.48 76.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 242' ' ' ILE . 49.2 mt -75.08 -87.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -175.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' GLY . . . . . 0.593 ' C ' HD23 ' A' ' 209' ' ' LEU . . . -174.55 42.16 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -154.03 139.04 17.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.473 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 6.6 m-85 -116.05 -67.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -169.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -138.94 137.69 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.566 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 t -101.82 166.28 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.66 -20.18 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -78.6 147.87 33.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.1 t -105.06 -1.13 26.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.397 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.85 -5.0 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.495 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.21 151.84 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.948 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -75.99 -14.04 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.44 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.4 tpt -82.42 -7.07 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.548 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 35.2 t80 -74.85 144.09 79.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.96 59.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.8 tp -167.63 135.44 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.2 145.51 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.34 123.88 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.675 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 49.9 m -111.31 169.51 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.081 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 18.9 tp -142.14 151.96 42.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.3 t -49.42 -36.58 22.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.47 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -138.59 106.29 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.23 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.816 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.75 -23.67 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -176.577 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.402 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.24 -19.72 65.56 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.181 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 5.2 t80 -44.91 154.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -157.57 157.12 33.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.676 HD11 ' CG1' ' A' ' 123' ' ' VAL . 25.2 mt -77.63 145.97 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 92.5 p -70.38 163.9 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.45 -26.61 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -42.14 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.53 -46.23 86.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.58 -44.88 37.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.18 -61.89 2.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.877 HD13 ' CE3' ' A' ' 124' ' ' TRP . 1.0 OUTLIER -53.59 -46.42 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.36 -174.017 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -25.51 62.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -175.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 t -73.38 -35.7 65.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.22 -23.11 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.423 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.4 m-85 -139.72 -88.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 92.82 118.7 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 166.35 29.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.88 32.47 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.787 . . . . 0.0 110.954 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.43 7.26 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.49 161.33 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.3 OUTLIER -58.63 -54.13 59.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -176.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.5 Cg_endo -74.96 73.56 4.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.53 137.22 57.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.046 -1.454 . . . . 0.0 110.365 -179.18 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.929 ' H36' ' C16' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.751 ' N ' ' HG ' ' A' ' 212' ' ' SER . 2.4 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.432 0.158 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -57.68 169.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.257 -177.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -123.45 173.91 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.356 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -88.9 170.4 11.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 176.647 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.92 124.56 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 111.043 -176.58 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.05 -2.16 78.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -174.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt 46.57 73.89 0.91 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.327 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.6 13.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 173.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -166.14 146.56 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -176.07 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -53.46 148.21 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -96.5 -3.94 42.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -174.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -121.7 154.15 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 p -91.36 -32.38 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 178.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -74.97 76.7 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.609 178.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.23 154.14 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -176.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.27 146.73 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 176.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -141.45 168.16 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -165.39 140.87 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 110.33 -174.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -93.48 121.2 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 177.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.9 t -81.36 -40.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -159.6 170.32 21.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -124.19 -176.22 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -177.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.83 142.08 25.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.371 -177.5 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.6 Cg_endo -74.97 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 178.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -160.45 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -178.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -103.07 159.43 29.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.08 165.73 30.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.941 170.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -51.9 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -171.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.32 -36.43 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -178.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.03 -46.44 87.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.7 -52.64 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -178.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -33.15 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -64.15 -43.88 93.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.72 76.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.35 -53.08 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -34.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 172.258 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 6.0 mtpm? -80.84 -55.86 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -177.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.22 -40.71 64.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -177.591 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 132' ' ' PHE . 94.1 mt -62.57 -51.06 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -34.37 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -175.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -36.66 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.569 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.724 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.5 m95 -85.73 -33.81 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.21 -24.35 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 177.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.44 -19.11 59.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.631 HG23 HG21 ' A' ' 242' ' ' ILE . 6.6 m -131.32 16.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -172.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.3 p -144.82 159.72 49.45 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 171.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -8.79 20.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 173.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.545 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 79.9 mt -59.59 155.47 15.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -170.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -137.72 134.85 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 173.033 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 121' ' ' LEU . 82.7 m-85 -112.02 136.84 50.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -172.615 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.4 m -127.22 147.15 50.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 178.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -90.89 149.44 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -130.71 128.75 41.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 177.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -88.95 -5.99 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -155.7 177.2 11.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 177.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.68 -155.54 43.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.01 105.58 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.66 156.03 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.38 -37.08 85.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 -177.066 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 mt -116.31 84.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.38 85.57 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.12 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -173.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -142.42 162.93 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -174.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.4 m-85 -122.4 146.7 47.11 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 110.919 177.167 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -159.98 -179.81 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 178.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 149' ' ' ARG . 14.5 m -136.42 161.78 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -178.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.561 ' CG ' HG23 ' A' ' 148' ' ' VAL . 0.1 OUTLIER 29.3 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 176.161 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 148' ' ' VAL . 10.4 tp10 -96.59 135.59 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 -175.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.738 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 22.9 p-80 -158.69 35.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 173.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 87.03 -166.02 36.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.598 ' CG ' HD11 ' A' ' 174' ' ' ILE . 0.0 OUTLIER 44.17 -159.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.362 176.842 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -124.96 77.01 1.58 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.738 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -159.7 76.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 176.904 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 95.26 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -168.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.1 m-85 -47.76 157.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 171.325 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.68 -60.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -176.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 149.5 -121.39 1.28 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -177.335 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 110.14 3.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.13 -153.67 21.2 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -175.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.18 -153.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 178.753 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 157' ' ' PHE . 73.0 t -35.23 108.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.372 177.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.439 HD11 ' C35' ' A' ' 256' ' ' INH . 14.3 mt -79.68 -41.0 27.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 174.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.405 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -169.4 142.71 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 178.103 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.8 p-80 -130.65 167.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -154.08 158.61 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.76 164.09 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -83.1 154.36 67.05 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 168.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 109.98 3.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -171.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -143.05 -93.93 0.19 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 179.73 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -78.38 -12.29 84.44 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 -173.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -85.06 -24.55 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.611 0.83 . . . . 0.0 109.307 178.665 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 12.1 m-20 -86.32 173.81 9.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.88 -41.03 2.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.6 t0 -65.22 143.13 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -108.45 123.12 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -104.26 121.0 42.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -173.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.512 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 31.8 m-85 -102.27 161.44 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 176.252 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -89.07 120.72 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 176.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.62 -18.06 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 177.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -91.62 50.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -175.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.74 167.07 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 173.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -78.41 156.21 29.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 -175.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.452 ' HZ3' HG21 ' A' ' 198' ' ' VAL . 97.4 m95 -140.14 158.58 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.99 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.601 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.1 p -145.43 171.67 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -120.62 26.39 9.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -177.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.04 176.28 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 25.0 p -76.46 81.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.4 t -157.03 -42.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.601 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -101.78 -141.9 12.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 174.004 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.524 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.4 m -90.75 72.57 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.384 166.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.524 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.3 t30 -34.17 110.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -172.537 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.8 tp -52.88 -52.1 58.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -171.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.7 t80 -47.63 -51.49 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.994 -175.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.928 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -48.01 -37.09 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 -179.652 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.686 HG22 ' C11' ' A' ' 256' ' ' INH . 24.0 t -78.7 -42.93 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.087 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -50.38 -45.45 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 1.028 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.78 -52.98 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.031 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -44.61 -54.27 6.3 Favored 'General case' 0 N--CA 1.513 2.718 0 O-C-N 121.171 -0.956 . . . . 0.0 110.892 171.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.4 mm-40 -51.29 -64.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.382 1.051 . . . . 0.0 110.325 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -47.63 -43.23 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -177.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.08 25.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.4 m-70 -62.96 -42.61 99.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.9 m -60.21 -36.01 76.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.61 -75.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 208' ' ' GLY . . . . . 0.46 ' O ' HD11 ' A' ' 245' ' ' LEU . . . 171.87 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 177.243 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 209' ' ' LEU . 8.3 mt -115.97 162.44 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.25 177.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 48.3 m-85 -151.6 169.76 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -45.59 124.64 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.618 -166.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.751 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 35.5 m -80.51 174.61 11.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -177.542 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.74 -35.01 16.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 177.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.82 148.21 51.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 74.1 p -97.35 -27.83 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.75 159.96 32.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -89.9 -24.3 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 178.89 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.633 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.6 tpt -60.58 -27.09 67.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 110.919 176.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.2 t80 -52.74 147.55 15.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -172.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 134.78 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 -176.131 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.26 151.13 41.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 -177.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.67 146.9 11.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 22.4 t -114.88 -174.8 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -177.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -149.04 157.18 43.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 26.3 m -52.26 -37.68 56.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.13 127.7 19.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -97.98 -20.15 17.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -171.501 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 230' ' ' THR . 1.2 p -75.09 -19.56 59.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.378 -177.254 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.99 -4.95 22.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 175.551 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.2 t80 -38.82 152.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.982 -178.477 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -156.21 157.58 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.724 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.0 mt -77.69 147.32 35.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 15.8 m -74.56 159.86 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.74 -31.8 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -38.73 65.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 178.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -79.47 -46.82 16.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -174.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -60.92 -38.33 79.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -177.43 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -52.66 -45.0 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.5 -51.5 6.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -176.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.2 tp -58.67 -30.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -174.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -34.01 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 23.0 t -60.42 -26.21 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.08 . . . . 0.0 110.002 176.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 208' ' ' GLY . 15.2 mt -80.83 -34.46 33.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.545 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 5.0 m-85 -143.35 -84.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -177.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.27 120.67 3.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.47 26.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.14 31.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 178.28 7.47 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.765 . . . . 0.0 110.922 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.09 144.45 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.499 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.4 OUTLIER 170.95 -55.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -178.694 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.4 Cg_endo -74.95 72.26 4.68 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.02 134.65 46.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.013 -1.47 . . . . 0.0 110.426 -179.51 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.898 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.725 ' N ' ' HG ' ' A' ' 212' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.426 0.155 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -173.06 173.88 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -116.02 136.04 53.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.425 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -64.56 173.38 1.6 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 111.007 172.444 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.08 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.997 178.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.06 -10.93 4.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -173.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.8 mt 65.72 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.91 11.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt 172.96 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CB ' HD21 ' A' ' 97' ' ' LEU . 92.1 m95 -65.24 151.89 45.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -87.49 -4.04 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -173.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 8.6 pttm -127.26 152.72 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.631 1.207 . . . . 0.0 109.372 179.008 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -89.44 -39.35 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.382 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -74.49 79.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.511 HD21 ' CB ' ' A' ' 92' ' ' TRP . 23.4 mt -78.22 159.01 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.361 -176.206 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 150.89 49.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 173.467 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -144.51 169.38 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 178.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 144' ' ' ILE . 6.8 ttt85 -165.85 143.67 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -177.475 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -102.47 117.0 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 175.366 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -75.69 -41.03 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -152.43 171.52 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -177.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.94 -170.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -177.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -114.6 143.96 30.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -178.129 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 64.24 6.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.31 -48.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.7 mt -104.26 160.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -178.356 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.06 170.76 19.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 172.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.48 -59.92 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -173.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -50.77 -35.04 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -178.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.43 -45.54 90.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -175.648 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.39 -51.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.326 -177.627 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.49 -33.03 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -63.59 -45.25 91.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.992 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.62 -39.03 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.25 -53.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -44.86 -34.21 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.5 mttp -81.8 -56.34 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -176.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -52.82 -37.98 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -176.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.56 -52.9 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.5 73.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -173.647 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.661 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.23 -33.43 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -178.632 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.698 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.3 m95 -93.2 -32.43 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -176.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.3 -23.83 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 177.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -18.83 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -175.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.594 HG23 HG21 ' A' ' 242' ' ' ILE . 11.1 m -130.06 18.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -173.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.5 p -144.91 159.86 48.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.42 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.57 21.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 175.143 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 246' ' ' TYR . 53.8 mt -57.74 154.35 11.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -172.689 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 134.38 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 110.443 173.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -109.11 131.45 55.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -172.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.4 t -119.63 161.17 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 177.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -112.42 150.83 30.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.1 mt -128.27 125.9 39.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -77.73 -11.94 59.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 111.021 -177.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.44 171.03 20.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 176.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.16 -146.04 20.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.148 . . . . 0.0 110.968 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.55 148.95 42.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 110.232 -178.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -128.74 155.68 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.21 -39.66 93.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -175.54 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.49 87.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.1 mmt -90.59 83.63 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' ARG . 2.7 mp -70.23 145.21 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -174.379 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 m -155.39 159.06 39.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.33 139.69 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 174.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -148.47 162.08 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -175.275 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -130.56 -175.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 165.169 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 148' ' ' VAL . 35.1 ptt85 36.8 -157.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.186 . . . . 0.0 110.299 177.106 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.5 tm-20 -62.15 110.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 174.21 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 24.5 p-80 -117.99 7.74 12.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.073 . . . . 0.0 109.53 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.92 -94.64 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 t0 -73.69 179.25 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 177.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.6 t80 -83.63 80.52 9.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -176.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.608 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.92 64.71 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 178.396 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.72 23.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 -170.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 9.1 m-30 -93.45 134.48 35.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 173.009 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -155.41 -65.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -176.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -54.2 148.44 19.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 136.79 20.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 176.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.93 -132.61 13.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 47.9 -148.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 177.376 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 162' ' ' ASN . 8.8 t -32.34 113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 176.332 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 9.2 mt -92.32 -33.55 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 175.694 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 179.56 141.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.454 ' CE1' ' HZ ' ' A' ' 157' ' ' PHE . 0.0 OUTLIER -123.18 170.33 10.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.056 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.61 164.49 38.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.018 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -122.78 152.43 40.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.827 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -61.55 177.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 170.393 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.827 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -74.99 151.02 39.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.417 1.746 . . . . 0.0 111.001 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 171.81 -133.96 2.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -178.255 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.16 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.96 60.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -170.339 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -26.23 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.37 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.8 m120 -90.39 169.77 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.71 -38.14 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 176.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -73.6 149.15 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.321 -177.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -115.6 113.05 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 166' ' ' HIS . 6.1 m170 -94.8 120.68 35.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -178.299 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.468 ' CD1' ' OE1' ' A' ' 202' ' ' GLU . 30.6 m-85 -88.98 153.67 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.077 172.257 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.7 t0 -84.4 107.03 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -24.22 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -80.19 50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 177.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 151.07 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 22.9 tt0 -73.82 156.95 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 177.323 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.405 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 91.7 m95 -141.28 155.05 46.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' N ' ' A' ' 192' ' ' GLY . 37.3 p -140.19 168.45 19.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -93.39 -23.43 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.21 -177.8 4.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -175.078 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 p -70.92 76.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -178.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.1 p -134.59 -48.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.457 177.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.626 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.58 -130.64 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.947 176.648 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 54.7 m -86.4 87.35 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 0.723 . . . . 0.0 110.402 171.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 197' ' ' LEU . 14.2 t-20 -46.09 115.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -178.469 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 68.3 tp -67.49 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.22 -175.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -42.49 -51.41 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 -177.588 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.529 HD11 ' H48' ' A' ' 256' ' ' INH . 1.8 tm? -54.65 -38.14 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -177.102 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.23 -33.77 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.297 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.01 -39.4 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -177.207 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.64 -47.69 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -54.42 -54.36 41.83 Favored 'General case' 0 N--CA 1.514 2.768 0 O-C-N 121.101 -0.999 . . . . 0.0 110.818 177.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 180' ' ' PHE . 2.4 mt-10 -50.5 -62.34 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 177.315 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.05 -38.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -177.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.69 26.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.2 m-70 -70.72 -39.27 73.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.6 t -58.61 -39.25 79.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.992 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.65 -70.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -177.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 161.4 49.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 209' ' ' LEU . 10.8 mt -124.14 151.86 43.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 174.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 86' ' ' PHE . 85.3 m-85 -140.51 167.36 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 171.642 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 210' ' ' PHE . 35.1 m170 -41.91 139.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.634 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.725 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 11.1 m -103.48 167.39 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -178.37 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -78.25 -39.4 40.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.06 147.27 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.374 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.6 p -101.52 -11.37 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.11 -23.65 47.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 176.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.04 168.78 17.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -175.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -93.69 -20.56 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 177.678 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.38 67.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 22.4 t80 -43.06 145.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 175.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 -35.67 3.05 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -165.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.21 136.32 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 178.671 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -46.21 146.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.03 124.15 45.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -177.308 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 85.5 p -132.28 163.49 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.048 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.4 tp -155.18 149.62 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -50.37 -32.79 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -133.93 93.4 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 177.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.47 -21.79 66.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -178.54 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.3 t -66.86 -11.08 54.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -112.63 -5.69 13.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -176.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.66 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -47.28 146.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.46 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.4 mmt180 -148.28 148.26 30.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 178.264 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.698 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.6 mt -67.02 133.08 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 174.218 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 65.5 m -73.23 164.71 26.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 177.561 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.38 -34.84 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -177.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.45 -47.88 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.295 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.88 -50.45 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -177.311 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.686 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -64.24 -37.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 -174.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.26 -44.41 61.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.43 6.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 110.964 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.686 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.0 OUTLIER -60.94 -26.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 -174.577 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.35 -39.43 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.9 m -54.8 -29.93 55.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.41 -33.9 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 178.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 130' ' ' LEU . 40.1 m-85 -133.03 -91.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 111.001 -178.249 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.7 118.61 3.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.87 28.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 178.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.11 32.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.28 7.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -153.06 164.94 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 28.7 m -157.2 77.54 3.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 69.59 5.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -149.29 29.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.018 -1.468 . . . . 0.0 110.389 -179.317 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.58 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.5 p90 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.456 0.169 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -179.44 178.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -118.36 135.76 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.392 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -84.2 176.74 3.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 170.854 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.94 98.73 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 -173.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.73 -11.81 5.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -170.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt 65.13 110.26 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.1 Cg_endo -75.04 125.1 9.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.051 -177.631 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 245' ' ' LEU . 0.7 OUTLIER 171.48 123.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -177.051 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.425 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 97.9 m95 -73.97 156.26 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 177.346 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -87.25 -3.25 59.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -176.153 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -130.81 155.94 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -90.9 -35.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -76.92 82.23 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD21 ' CG ' ' A' ' 92' ' ' TRP . 14.0 mt -77.6 166.31 23.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -176.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.76 144.61 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 175.61 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -138.69 171.29 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 175.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -160.82 131.82 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 110.279 -175.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -94.28 114.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 176.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.57 -41.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -174.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -159.79 172.82 16.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.387 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -120.11 -165.49 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.086 -176.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -118.03 143.2 32.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -177.843 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.99 68.91 5.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 178.288 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.38 -48.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.614 1.196 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -102.11 160.31 26.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 165.03 32.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 171.119 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -58.76 6.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -170.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 -35.17 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -176.167 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.75 -45.89 87.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -176.107 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.27 -53.94 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -178.305 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -51.94 -34.78 43.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -59.2 -40.42 85.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -177.682 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.95 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 2.3 t -75.05 -54.87 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 177.426 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -47.13 -29.2 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 174.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 115' ' ' SER . 41.3 mtpt -84.3 -53.7 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -176.557 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.654 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.46 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 84.4 mt -64.0 -49.96 70.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -177.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -59.65 -37.21 78.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.718 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -57.35 -39.92 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -177.686 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.686 ' CE3' HD13 ' A' ' 242' ' ' ILE . 88.5 m95 -84.21 -31.84 24.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.025 -177.535 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.76 -22.7 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 178.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.2 -19.28 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -175.058 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.532 HG23 HG21 ' A' ' 242' ' ' ILE . 11.9 m -127.86 18.6 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -173.142 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 242' ' ' ILE . 61.4 p -144.89 160.43 46.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 169.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -9.03 20.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.35 154.9 40.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -169.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.1 p -129.09 167.97 16.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 169.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.62 134.56 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.5 t -124.24 179.99 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -128.76 152.46 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.7 mt -122.33 123.0 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -60.35 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -152.31 166.68 31.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 89.8 -159.39 27.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.03 142.32 35.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.248 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -115.12 163.03 16.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 176.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -33.9 76.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -177.143 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.4 mt -123.46 88.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.38 101.75 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.081 -179.545 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.45 142.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -175.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -150.61 169.93 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 20.7 m-85 -128.86 139.95 51.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 176.467 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 143.88 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 183' ' ' ASP . 1.3 m -93.98 178.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 171.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 41.93 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 174.36 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.86 138.24 50.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 177.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.0 p-80 -146.23 28.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -167.518 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 136.96 -89.18 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.063 179.134 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.12 -164.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -178.264 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.44 74.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.49 70.4 5.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 178.744 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 105.07 2.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 -171.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.739 ' CE1' HG12 ' A' ' 163' ' ' VAL . 3.6 m-85 -48.27 130.75 16.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 173.353 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.73 65.03 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -171.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 53.4 -142.73 28.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 0.0 110.989 176.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.44 28.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.177 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.42 -160.41 39.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -175.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.08 -152.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 109.251 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' CE1' ' A' ' 157' ' ' PHE . 65.4 t -35.14 115.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 178.135 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.575 HD11 ' C31' ' A' ' 256' ' ' INH . 12.6 mt -90.41 -39.34 12.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 173.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -166.85 142.22 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 173.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.79 162.56 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.591 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.88 145.71 20.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -174.46 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -99.08 170.65 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -64.85 167.54 9.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 175.372 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -75.03 146.75 32.91 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 -177.122 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.65 -175.56 27.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.57 42.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.041 178.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 75.93 -135.93 18.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 173.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -24.53 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 -177.619 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -68.84 139.03 55.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.96 -28.19 9.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.57 155.56 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -176.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -139.79 124.26 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 178.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -112.16 139.48 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.572 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 20.9 m-85 -106.6 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 174.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.429 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -91.41 114.09 26.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 173.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.5 -23.86 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.7 t70 -74.31 -26.8 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -175.667 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.52 152.73 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -175.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -75.95 156.11 34.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -140.23 154.73 46.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 108.007 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.507 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 71.1 p -142.31 170.63 15.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.469 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.55 10.47 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -174.103 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -166.46 -170.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 37.9 p -77.88 70.45 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 110.383 -175.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 16.1 p -131.46 -49.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.464 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.507 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -102.71 -134.0 8.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 177.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 194' ' ' ASN . 42.6 m -94.91 75.44 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.414 169.075 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 193' ' ' THR . 9.8 t-20 -34.98 112.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -173.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -55.38 -52.91 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -169.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 229' ' ' LEU . 0.5 OUTLIER -48.9 -45.16 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -174.736 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.833 HD22 ' H48' ' A' ' 256' ' ' INH . 0.9 OUTLIER -52.4 -39.28 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.207 -179.051 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 54.4 t -79.79 -32.96 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -66.37 -42.44 88.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -176.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -67.99 -22.44 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.38 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.34 -57.89 3.6 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 121.185 -0.947 . . . . 0.0 110.78 174.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -54.17 -51.34 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.2 OUTLIER -54.46 -38.93 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -177.526 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.64 -39.34 60.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 -178.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.672 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 35.7 m-70 -66.71 -37.72 85.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.584 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -70.79 -34.95 72.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -178.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.81 -53.55 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -176.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.94 56.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.562 1.164 . . . . 0.0 111.053 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.836 ' CD2' HD12 ' A' ' 242' ' ' ILE . 1.3 pt? -164.81 132.42 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.726 . . . . 0.0 109.301 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 211' ' ' HIS . 33.0 m-85 -109.48 -173.86 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 111.016 -177.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 210' ' ' PHE . 46.9 m170 -35.66 131.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.61 -175.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 61.7 p -86.25 177.14 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 -179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.46 -30.39 23.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.1 150.83 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -178.399 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.2 t -97.82 -19.52 18.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -178.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -11.25 59.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.82 171.79 14.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -94.96 -24.5 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -176.084 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.568 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -70.66 -15.26 62.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 177.013 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.554 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 62.6 t80 -64.07 137.63 97.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 175.313 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.03 65.43 6.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 222' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.9 132.16 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 177.74 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -74.08 149.24 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -172.0 123.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.548 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 68.0 m -97.49 170.38 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -177.477 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 33.1 tp -130.94 152.86 49.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.042 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.1 p -39.66 -56.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -120.2 100.54 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.782 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -176.003 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.404 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.38 -22.43 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.178 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -96.27 -4.93 41.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 3.9 t80 -42.46 155.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -156.15 156.2 33.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.718 HD11 ' CG1' ' A' ' 123' ' ' VAL . 6.1 mt -79.96 148.48 31.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.307 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.3 m -76.19 156.31 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 177.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.18 -31.06 51.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -39.37 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -76.88 -44.07 33.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.213 -174.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -62.88 -35.77 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -178.468 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -52.24 -49.9 63.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -74.84 -51.46 7.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -175.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.836 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -56.97 -24.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -175.934 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.3 -36.89 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 110.298 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 91.1 p -56.07 -32.91 64.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.6 mt -87.43 -21.13 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -178.091 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.425 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 32.5 m-85 -141.06 -90.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.13 122.64 2.7 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 176.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.55 28.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.831 . . . . 0.0 111.04 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 123.79 8.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.37 7.36 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 178.201 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.54 166.97 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 109.288 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.512 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER -51.67 -55.96 25.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.079 -173.856 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.3 Cg_endo -74.99 64.02 6.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 177.076 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.39 -27.13 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 116.952 -1.499 . . . . 0.0 110.381 178.696 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.833 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.474 0.178 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -70.31 166.73 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -177.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -142.15 137.59 31.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -177.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.45 170.18 0.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 173.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.19 4.36 18.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 111.032 177.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.512 HG23 HD23 ' A' ' 245' ' ' LEU . 3.9 mp 53.84 96.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.769 . . . . 0.0 109.284 -177.46 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.583 ' HB3' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -178.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 pttm 178.52 121.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -176.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -66.47 149.6 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -94.46 -2.27 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -176.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -121.45 136.63 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -83.0 -35.78 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -74.39 77.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 178.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.22 149.17 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -177.432 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.96 151.13 47.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 173.262 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.57 170.97 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -166.19 141.74 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -177.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -100.34 113.67 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 174.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.53 -40.97 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -173.275 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -154.2 173.27 16.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -177.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.18 -167.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -117.85 144.01 33.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -177.786 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.98 73.4 4.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.264 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.54 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.588 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 187' ' ' THR . 22.2 mt -103.21 159.62 28.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.96 167.68 26.52 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 172.514 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -67.89 -55.88 11.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.08 -35.68 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -177.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.558 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.67 -45.96 90.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -176.026 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -52.67 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -177.334 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.78 -33.69 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -66.39 -42.63 87.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 -179.207 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.1 -39.19 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 10.9 t -71.28 -58.29 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 176.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -43.67 -34.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 176.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 27.2 mttp -83.79 -45.12 13.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -175.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -60.24 -32.97 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 28.7 mt -71.26 -53.57 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -178.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.21 -31.35 70.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -176.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.688 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -56.29 -37.05 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.671 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 84.9 m95 -87.62 -33.29 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -54.63 -23.79 18.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.33 -19.9 49.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -175.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 6.3 m -129.95 17.7 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -173.078 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 63.6 p -144.49 159.16 52.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 110.36 171.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.69 21.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 175.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 246' ' ' TYR . 45.3 mt -60.01 152.19 24.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -171.152 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 134.74 47.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 173.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -107.88 131.3 54.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -173.628 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.9 t -124.83 163.41 22.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 1.076 . . . . 0.0 109.955 176.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -118.39 150.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.99 133.98 53.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -72.35 -15.7 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -159.49 169.52 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 175.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.44 176.34 41.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 178.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -93.6 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.271 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.55 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 177.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.04 -49.93 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.63 89.86 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.91 90.75 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -178.403 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 144.21 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -177.162 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -156.21 160.41 39.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -178.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -111.03 140.52 45.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.25 168.17 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 -176.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 6.1 m -139.61 -175.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 174.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 148' ' ' VAL . 7.4 mtp-105 33.61 -142.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 177.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.38 99.8 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 176.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.611 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 38.4 p-80 -100.13 54.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 178.041 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 58.92 63.45 5.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -177.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.62 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.6 p-10 -174.71 -174.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -172.292 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.6 t80 -113.74 2.5 15.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -175.667 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -113.49 92.82 24.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.035 176.119 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.52 30.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -175.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.7 m-30 -105.04 129.8 53.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 178.46 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 178.78 112.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.368 -177.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 144.01 145.43 4.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.157 . . . . 0.0 111.073 174.258 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 129.44 12.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 175.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.96 -135.49 19.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -174.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.12 -153.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 178.304 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 4.4 t -36.41 116.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.672 HD11 ' H69' ' A' ' 256' ' ' INH . 4.9 mt -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 176.196 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.36 146.21 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -126.95 165.94 18.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.555 178.145 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.74 161.59 34.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 174.253 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.476 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 59.6 m-85 -133.75 140.15 46.8 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 111.069 -171.207 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -53.37 150.01 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 175.489 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 137.85 22.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -171.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -168.01 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 172.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -77.21 -11.42 85.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -173.232 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -26.95 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.152 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 18.3 m-20 -88.36 176.62 7.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.51 -39.16 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.558 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.41 150.46 36.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 176.337 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -116.75 112.03 20.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -89.46 123.19 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.67 145.62 27.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 173.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 19.4 t0 -78.92 109.2 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -174.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -23.08 53.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 177.621 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.45 ' H ' HG12 ' A' ' 148' ' ' VAL . 4.8 t70 -80.5 49.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.13 153.96 16.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.321 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 23.5 tt0 -73.38 158.09 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 177.021 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.422 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 93.1 m95 -143.56 156.51 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.69 HG21 ' HA3' ' A' ' 192' ' ' GLY . 69.5 p -139.45 163.72 31.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 178.107 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -92.88 -11.21 34.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 177.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.51 -169.92 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 23.9 p -78.15 70.98 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -176.426 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 9.3 t -143.45 21.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 175.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.69 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 176.91 -133.47 2.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 164' ' ' LEU . 42.4 m -88.84 87.73 7.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 110.422 170.67 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.494 HD21 HD13 ' A' ' 229' ' ' LEU . 10.3 t-20 -52.15 110.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.374 -176.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.64 -57.4 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -174.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.564 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -52.49 -41.57 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -174.466 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.738 HD22 ' H48' ' A' ' 256' ' ' INH . 0.4 OUTLIER -59.71 -37.79 79.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 178.48 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.18 -34.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.31 82.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -178.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.95 -38.65 89.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -66.64 -53.76 30.64 Favored 'General case' 0 N--CA 1.516 2.831 0 O-C-N 121.164 -0.96 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -57.47 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -54.28 -35.87 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.38 -176.01 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.67 43.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.062 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 74.1 m-70 -66.84 -38.53 86.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.546 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.0 t -65.0 -28.86 69.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.19 -105.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -175.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -143.27 12.04 2.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.078 -174.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.516 ' HG ' HD12 ' A' ' 242' ' ' ILE . 14.1 mt -112.96 172.26 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.57 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.0 m-85 -151.34 -63.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.929 178.701 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.7 m170 -149.04 137.55 21.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.396 1.06 . . . . 0.0 109.682 -176.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -94.02 177.48 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -99.75 -39.85 8.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.243 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.07 157.45 36.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.401 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 70.4 p -94.88 -29.72 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -178.02 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -8.22 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 110.262 -176.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.65 -178.91 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -178.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -94.1 -48.65 6.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -174.615 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 94.3 mmm -67.86 -9.04 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -173.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.8 t80 -44.46 129.46 4.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 174.638 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 57.17 4.45 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 -176.606 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 149.29 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 174.096 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -75.74 145.74 40.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -169.62 122.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.688 177.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 5.1 m -110.23 134.67 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -177.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.7 tp -81.64 150.05 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.01 -44.38 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 110.406 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.74 104.26 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 175.459 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.714 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.53 -18.32 63.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -176.228 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -9.83 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -178.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -114.84 -5.69 12.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -176.353 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.628 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.77 141.93 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -177.734 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 4.1 mtt-85 -152.63 148.93 27.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 178.062 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 123' ' ' VAL . 19.0 mt -68.9 132.42 46.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 176.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 67.9 m -73.54 158.53 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 177.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -29.51 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 -178.504 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -50.96 -50.75 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 176.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.91 -48.58 62.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -173.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.669 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.51 -43.4 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.644 1.215 . . . . 0.0 109.334 -174.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -49.2 -43.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.42 -57.15 4.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.669 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -53.73 -29.42 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 109.253 -173.525 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -77.87 -39.75 42.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 p -60.68 -30.19 69.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.512 HD23 HG23 ' A' ' 89' ' ' ILE . 1.3 mt -89.15 -19.1 25.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.558 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 46.3 m-85 -139.78 -92.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.32 112.85 2.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 172.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.91 32.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.914 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.14 8.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -69.77 144.71 52.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 53.6 p 47.45 68.74 3.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 -179.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 72.47 4.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.521 1.8 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.84 136.63 32.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.033 -1.461 . . . . 0.0 110.382 -179.306 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.767 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.636 ' CE2' HD22 ' A' ' 209' ' ' LEU . 12.0 t80 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.542 ' C ' HG23 ' A' ' 85' ' ' THR . 8.3 mtp180 -75.25 141.94 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 176.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.542 HG23 ' C ' ' A' ' 84' ' ' ARG . 28.1 p -159.22 135.32 8.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.381 -169.403 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.07 169.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.904 176.739 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.574 1.829 . . . . 0.0 111.015 178.623 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.77 -7.8 6.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -174.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.3 mt 67.28 106.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 178.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.0 130.72 13.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? 175.55 125.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.173 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.429 ' CG ' HD21 ' A' ' 97' ' ' LEU . 90.7 m95 -64.65 151.02 45.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.95 -4.86 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -176.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -126.29 157.71 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.7 p -92.98 -38.2 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -75.32 88.16 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.554 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 92' ' ' TRP . 17.9 mt -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.195 . . . . 0.0 109.321 -177.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.9 148.1 51.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 174.297 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.401 ' CD2' HG11 ' A' ' 117' ' ' VAL . 11.6 p90 -137.57 174.34 10.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 176.029 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -163.59 147.76 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -177.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mm -102.97 117.43 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.36 172.103 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.56 -38.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -160.33 169.37 23.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.69 -177.3 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -175.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -109.36 143.96 28.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -175.291 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.42 6.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.28 -48.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 108' ' ' LEU . 19.2 mt -104.63 157.31 34.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 178.001 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 168.81 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 173.545 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -63.82 -63.35 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -173.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -33.62 40.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.558 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.97 -45.81 90.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -177.234 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.47 -52.81 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -178.28 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.56 -34.83 59.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 109.309 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -46.44 89.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.396 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.18 -41.57 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 24.1 t -72.16 -55.44 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 178.483 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -44.73 -33.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 176.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -85.38 -43.2 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -176.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -61.4 -32.35 72.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 40.4 mt -71.54 -52.09 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -178.693 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.25 -34.6 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -178.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.616 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -54.83 -34.27 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.706 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 61.7 m95 -86.74 -36.44 18.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.034 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.01 -24.42 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.87 -18.87 53.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 242' ' ' ILE . 8.0 m -131.67 17.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -172.472 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.7 p -145.31 158.85 50.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.4 20.74 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 176.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.45 154.24 42.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -168.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -126.6 166.33 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 171.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.53 158.46 43.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.912 -174.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.3 m -154.78 150.0 27.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -98.27 152.67 19.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -178.371 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.0 mt -131.87 121.03 23.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 177.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -77.49 -10.45 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.416 1.073 . . . . 0.0 111.042 -177.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -151.0 172.49 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 176.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.16 -160.49 53.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 176.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.9 153.96 21.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 -178.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.27 161.45 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 177.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.19 -39.86 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 17.7 mt -119.93 86.43 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.61 87.38 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.403 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.7 mp -73.24 136.35 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -175.305 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 p -143.9 164.93 29.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -172.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 15.0 m-85 -126.67 151.26 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 177.139 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.07 143.14 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 175.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.6 m -93.04 173.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 171.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' VAL . 20.7 mmt-85 39.9 -147.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 175.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.11 143.57 31.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.574 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 42.7 p-80 -158.51 30.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.631 -160.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.74 -91.47 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.571 1.17 . . . . 0.0 111.003 -178.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -73.46 -164.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.092 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.72 78.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -178.653 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.574 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.02 75.48 6.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.417 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.83 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -170.229 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.4 m-85 -71.9 126.95 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 111.0 175.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -123.72 81.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -167.518 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.49 -161.38 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.42 1.075 . . . . 0.0 111.009 170.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 157.65 42.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 111.079 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.19 -164.08 51.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -174.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.17 -157.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 0.719 . . . . 0.0 109.278 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.0 t -42.66 117.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.746 HD12 ' H45' ' A' ' 256' ' ' INH . 8.0 mt -87.76 -42.19 12.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 173.707 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.82 144.81 6.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.41 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 6.3 p-80 -133.9 161.76 33.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 178.632 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.12 175.54 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -175.536 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.72 165.83 26.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -176.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.07 163.72 0.66 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -75.02 160.16 40.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 -177.305 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 142.16 -177.5 21.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.21 42.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.03 -133.71 13.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 174.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -35.77 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 0.0 109.266 -177.249 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.87 150.34 49.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -175.204 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.2 -36.79 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -75.79 158.46 32.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 -177.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.22 125.34 29.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 176.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -103.58 123.95 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.622 -174.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 8.1 m-85 -107.47 163.4 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.904 175.655 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.462 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -84.55 137.48 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.269 175.097 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.66 -22.67 14.39 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 177.391 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -78.19 -23.23 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -80.76 152.43 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -177.538 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -74.73 155.58 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 176.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -143.17 153.05 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 108.04 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.548 HG21 ' N ' ' A' ' 192' ' ' GLY . 29.1 p -138.71 165.76 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.401 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -16.16 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -176.081 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -139.09 -177.08 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -176.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p -71.85 78.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.4 p -137.52 -51.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.548 ' N ' HG21 ' A' ' 187' ' ' THR . . . -110.14 -131.08 6.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 178.173 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 194' ' ' ASN . 23.4 m -88.72 79.08 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.736 . . . . 0.0 110.404 169.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 193' ' ' THR . 26.0 t-20 -39.9 111.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.256 -175.901 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.47 -50.69 72.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -172.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.519 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 1.3 t80 -50.77 -44.55 58.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.935 -175.071 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 218' ' ' LEU . 1.0 OUTLIER -50.57 -44.44 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.25 176.415 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.84 -35.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -175.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 178.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 1.034 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.58 -49.96 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.385 -176.359 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -53.27 -48.83 67.96 Favored 'General case' 0 N--CA 1.515 2.803 0 O-C-N 121.189 -0.945 . . . . 0.0 110.874 174.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.4 -53.16 57.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.215 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -52.58 -39.27 53.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 63.7 m-70 -73.19 -36.58 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.575 178.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 67.9 m -67.08 -25.06 66.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.044 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.5 -102.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -155.81 23.84 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.585 1.178 . . . . 0.0 110.991 -176.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.636 HD22 ' CE2' ' A' ' 83' ' ' PHE . 89.0 mt -118.34 -179.95 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 174.511 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.648 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -156.51 -60.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 177.221 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.54 124.54 10.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.615 -178.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 11.2 m -76.93 -94.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.987 -176.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.91 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -176.587 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.403 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 2.3 t-20 -63.82 149.25 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 178.365 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.9 p -91.78 -14.38 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -178.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.08 -7.83 50.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.71 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.034 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -93.99 -21.67 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -178.102 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 2.0 mtp -86.75 15.3 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.608 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.7 t80 -82.65 149.32 60.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 171.632 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.02 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -171.118 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 134.9 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.48 155.37 15.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -174.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.29 178.79 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 109.556 -178.42 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.2 t -165.42 -175.84 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.04 157.53 42.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 11.8 t -57.08 -31.4 65.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -146.45 123.86 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 177.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.732 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -94.75 -19.79 20.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -177.092 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.45 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -60.3 -11.13 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -178.292 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -119.84 -6.32 10.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.3 t80 -43.01 152.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -174.524 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -156.16 157.23 35.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 173.245 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.706 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.1 mt -72.96 138.58 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 34.2 m -62.86 156.5 23.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 177.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -54.55 -29.28 50.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -38.92 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.73 -43.92 52.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -174.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.25 -37.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.98 -43.13 60.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.9 5.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -176.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.7 tp -57.48 -29.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 -174.031 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.03 -34.87 37.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.4 p -57.14 -29.77 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -178.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -97.09 -18.91 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -176.263 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -141.66 -96.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -176.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.26 117.38 3.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 177.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 168.66 24.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.04 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.6 8.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.428 1.752 . . . . 0.0 110.992 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -74.52 161.74 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 65.2 m -70.1 150.17 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.038 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.37 18.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 178.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.89 -36.13 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.472 179.585 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.964 ' H36' ' N18' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.505 0.193 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -142.04 163.07 33.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 86' ' ' PHE . 81.9 p -110.84 -103.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 176.89 168.7 0.43 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.97 105.88 2.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -178.605 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.82 -8.9 34.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.937 -177.065 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.9 mt 48.38 72.0 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.89 17.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 172.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -166.61 134.84 2.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -174.704 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.33 129.91 40.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 178.283 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -82.82 -4.24 57.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -174.667 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -116.04 152.48 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -178.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 p -90.54 -33.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -80.09 87.54 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.7 mt -89.34 161.51 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -176.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 152.07 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 174.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -141.9 172.58 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -164.22 147.45 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -177.138 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.74 115.78 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 174.258 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.37 -40.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -175.356 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -157.25 173.22 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.36 -173.54 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -176.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.27 144.19 29.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.369 -176.39 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 65.78 6.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.977 178.669 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -160.3 -48.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.99 158.05 32.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 166.98 28.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 170.158 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.09 -62.33 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -174.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.45 -36.59 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.4 -45.5 92.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 -175.774 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.21 -53.7 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.46 -40.19 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' LYS . 3.0 t -57.46 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 -178.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.19 -36.69 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -178.14 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.78 -55.17 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 178.139 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.24 -29.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 173.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 41.9 mtpt -85.39 -54.33 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -176.063 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.582 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.75 -45.3 74.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.376 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.02 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.14 -41.19 96.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -177.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.51 -33.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -177.627 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.664 ' CE3' HD13 ' A' ' 242' ' ' ILE . 91.6 m95 -89.53 -36.4 15.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.338 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -55.97 -23.33 31.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.29 -19.17 56.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.611 HG23 HG21 ' A' ' 242' ' ' ILE . 12.0 m -128.92 18.38 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.286 -174.016 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 69.1 p -144.72 160.04 48.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 171.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.86 20.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 174.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 246' ' ' TYR . 88.5 mt -56.85 157.1 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -172.199 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 p -139.24 133.81 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 172.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.86 132.17 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.933 -172.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 m -123.1 150.04 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.053 177.562 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 153.66 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.6 mt -126.71 111.89 14.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -55.99 -25.38 43.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -178.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -159.21 164.53 34.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 175.315 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.86 -167.0 22.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.1 146.12 24.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 110.352 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.74 43.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.43 -35.17 79.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -176.248 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.7 mt -120.25 84.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.76 88.54 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.15 143.2 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -174.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -152.76 159.13 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -176.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -111.36 141.28 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 173.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.87 161.49 42.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -175.235 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.518 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.1 m -131.33 -173.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 167.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 35.5 -154.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 177.803 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 104.31 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 173.599 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 21.7 p-80 -101.32 57.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.192 . . . . 0.0 109.626 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.53 66.17 2.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -177.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.649 ' OD2' ' CD2' ' A' ' 151' ' ' HIS . 2.8 p30 176.17 -169.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -170.108 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.04 20.58 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -177.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.636 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -125.06 90.42 51.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 166.694 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.2 36.29 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 6.9 m-30 -96.73 126.81 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 175.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.33 -75.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -170.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -165.98 -142.78 3.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -175.125 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.4 36.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.44 -155.29 48.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -172.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.34 -154.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.9 t -38.27 111.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.529 HD11 ' H65' ' A' ' 256' ' ' INH . 14.7 mt -81.33 -39.81 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 176.202 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -173.94 141.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 177.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.449 ' CE1' ' HE1' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -124.62 167.13 14.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.502 179.89 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.15 170.6 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 176.098 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -139.56 141.52 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -175.093 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.08 154.48 19.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 173.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 157.14 42.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 110.941 -170.581 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 174.03 -93.41 0.1 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -76.59 -11.05 85.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -173.336 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.87 -25.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.3 m-20 -88.4 176.97 6.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.13 -39.86 3.1 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 151.8 40.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 178.48 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.781 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -117.83 119.23 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.257 -179.343 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -99.56 120.56 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -177.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 32.9 m-85 -97.04 146.62 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 174.476 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 10.3 t70 -73.37 104.93 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -178.075 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.54 -26.45 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.46 49.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 178.178 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -167.67 142.35 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -178.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -71.76 154.72 41.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.21 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -135.79 156.19 49.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 107.99 -177.179 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.585 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 15.1 p -141.87 171.94 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 176.165 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -112.29 29.56 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -170.92 -173.27 1.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 34.9 p -86.35 86.44 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.389 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.8 t -155.76 -41.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 177.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.585 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -115.72 -134.82 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 173.052 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 28.3 m -84.55 83.31 8.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 110.367 171.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 198' ' ' VAL . 36.3 t-20 -42.7 103.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.02 -57.81 8.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 -172.169 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.523 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -53.82 -36.34 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 111.01 -173.182 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -63.77 -36.82 85.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 177.715 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.718 HG22 ' C11' ' A' ' 256' ' ' INH . 67.4 t -76.15 -38.13 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.359 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.15 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.866 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.1 -51.17 71.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -50.34 -56.31 11.86 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 121.158 -0.964 . . . . 0.0 110.828 174.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.781 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.2 mm-40 -50.04 -63.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.69 -44.85 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.07 -46.57 20.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.074 -177.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 83.8 m-70 -67.16 -43.99 80.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.583 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 20.5 m -59.56 -34.01 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -177.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 61.6 mt -73.52 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.6 35.8 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.509 ' HB3' ' SD ' ' A' ' 219' ' ' MET . 6.6 mt -116.45 172.27 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 176.74 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 29.6 m-85 -159.0 175.62 13.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.92 117.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.63 -172.117 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.9 m -78.82 168.73 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.91 19.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.42 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 0.5 OUTLIER -66.14 145.97 55.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.337 -179.064 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.3 t -98.54 -8.7 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -178.4 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -87.26 -14.78 40.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.95 172.66 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -177.22 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.866 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -99.95 -28.15 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.746 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.5 mtp -70.17 -16.44 63.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 110.982 -178.794 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.564 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 22.3 t80 -45.57 145.22 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.91 172.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.564 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.01 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 -167.131 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.56 144.47 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.51 161.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -144.19 156.7 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.14 165.83 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 178.044 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 20.6 tp -147.44 153.22 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 22.8 m -45.67 -38.11 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 178.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -134.59 113.29 11.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 177.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.772 HD13 ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.33 -22.8 65.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 -175.434 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.401 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -67.83 -15.85 63.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -178.704 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -105.12 -5.23 20.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -174.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.616 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -54.01 145.16 17.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 7.4 tpp180 -153.77 158.02 40.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 175.079 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.2 mt -72.0 156.85 38.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 178.003 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.5 t -90.61 167.32 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 175.345 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -59.91 -30.95 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -176.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.45 -39.85 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -75.49 -47.59 26.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -174.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.665 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -63.31 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -176.136 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.51 -44.44 69.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.86 -49.25 7.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -176.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -60.58 -27.24 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -175.441 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.21 -40.65 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 40.8 t -55.73 -30.39 61.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.012 178.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.63 -28.61 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 109.361 178.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.528 ' CE1' HD21 ' A' ' 130' ' ' LEU . 42.0 m-85 -139.54 -89.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -177.298 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.06 115.86 3.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 176.246 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.98 28.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 164.9 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.24 144.28 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -66.53 -53.1 31.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.087 -178.724 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.7 Cg_endo -74.88 175.55 11.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.37 179.847 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.814 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.559 0.219 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -143.67 166.53 24.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -134.43 135.34 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.94 173.677 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.91 102.39 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -173.59 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.05 -10.8 6.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -170.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp 62.95 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.687 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.04 126.71 10.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -178.04 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 50.0 pttt 172.17 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -177.233 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.451 ' CB ' HD21 ' A' ' 97' ' ' LEU . 86.7 m95 -71.1 161.2 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.71 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -92.83 -3.63 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -175.615 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 97' ' ' LEU . 23.1 pttt -131.96 155.63 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -90.46 -38.93 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 -179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.28 85.89 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 94' ' ' LYS . 36.1 mt -86.14 162.0 18.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -176.441 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.36 154.14 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.445 175.434 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -143.94 173.32 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 175.069 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -161.86 145.89 12.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -176.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -103.27 113.53 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 174.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.07 -41.85 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -174.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -160.16 176.07 12.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.23 -172.97 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -175.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.27 142.85 26.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 -176.793 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 64.42 6.04 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 178.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -158.16 -48.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -98.22 160.65 27.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.243 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.96 162.91 36.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.005 171.062 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -51.08 57.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -172.53 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.56 -38.2 66.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.211 -179.691 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.32 87.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.229 -175.651 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.7 t -64.86 -49.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -176.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.89 -35.46 71.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 179.413 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.37 -44.59 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.36 -45.11 54.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.058 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 20.1 t -69.35 -54.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.436 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -45.01 -35.67 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 176.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 8.5 mttp -75.07 -53.19 9.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.4 -34.61 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.08 . . . . 0.0 109.277 -178.762 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 18.2 mt -69.74 -50.75 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -177.413 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -59.65 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -52.47 -35.37 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -178.212 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.72 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 76.0 m95 -90.25 -35.65 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 107.951 -177.477 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -55.43 -22.59 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.59 -18.72 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.234 -174.359 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.502 HG23 HG21 ' A' ' 242' ' ' ILE . 17.2 m -127.31 19.24 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.326 -174.158 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.2 p -145.2 158.91 50.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 171.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.39 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.571 1.827 . . . . 0.0 110.964 174.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' A' ' 246' ' ' TYR . 29.9 mt -65.49 155.57 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -171.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 p -134.34 134.61 41.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 173.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.47 124.9 50.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -173.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -112.54 143.87 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 154.26 19.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -177.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.5 mt -136.09 154.57 50.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 178.035 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -115.85 -1.87 12.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 177.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.88 170.15 22.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.3 -169.6 54.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 177.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.0 109.7 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 -178.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.58 164.11 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 178.17 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.93 -46.4 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.77 90.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.97 97.75 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.38 136.66 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -176.707 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -149.02 160.81 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -175.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 10.7 m-85 -119.71 148.93 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 174.786 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.92 141.95 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.95 159.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 170.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 51.32 -164.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 135.29 53.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.4 p-80 -135.97 22.45 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.592 -165.39 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.2 -87.53 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.206 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.46 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.44 -168.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 -177.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -94.75 75.05 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -176.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.85 80.69 3.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.573 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.11 39.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.944 -170.37 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 0.8 OUTLIER -134.81 -165.55 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.996 -173.914 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 0.0 OUTLIER 88.17 -22.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 170.212 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -52.34 158.75 3.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 101.76 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.06 -126.57 7.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -175.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.44 -154.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 178.226 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.46 HG12 ' CE1' ' A' ' 157' ' ' PHE . 16.8 t -36.36 115.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.741 HD21 ' H69' ' A' ' 256' ' ' INH . 1.2 mt -88.6 -39.86 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 174.767 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.23 146.76 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -136.75 170.52 15.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.61 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.75 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.59 178.01 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.247 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -131.93 145.3 51.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.051 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -54.27 179.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 171.496 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -74.96 148.52 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.193 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.74 -133.8 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.427 1.08 . . . . 0.0 110.975 -177.439 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.92 -18.39 64.34 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -169.193 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -29.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.354 177.347 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 3.0 m120 -88.16 147.1 25.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -177.504 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 95.08 -23.68 32.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 -178.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.27 158.75 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.244 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.69 116.54 21.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 175.431 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -100.72 123.92 45.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.641 -176.024 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 28.3 m-85 -112.0 167.33 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 181' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 18.7 t0 -88.45 137.22 32.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 175.003 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 178.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.2 -26.56 56.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -177.118 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.8 152.64 29.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -177.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.78 155.98 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.343 177.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -144.92 152.53 40.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 108.018 179.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.2 p -140.01 -174.9 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 177.075 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -118.29 16.43 13.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.368 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -155.44 -165.34 1.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.5 p -94.69 49.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.7 t -109.61 -28.69 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 173.592 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.19 -141.9 4.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 175.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.8 m -86.77 87.51 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.381 173.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -48.64 109.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.95 -54.88 42.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -176.261 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -48.0 -47.59 33.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -176.185 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.601 HD22 ' H48' ' A' ' 256' ' ' INH . 0.1 OUTLIER -54.23 -41.97 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.227 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 75.3 t -76.04 -32.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.71 -44.1 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 178.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.634 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.85 -42.41 97.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -178.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -62.74 -51.49 66.95 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 121.14 -0.975 . . . . 0.0 110.814 178.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -55.31 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -31.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -177.267 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.85 -46.33 83.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.956 177.064 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.0 m-70 -67.37 -36.45 81.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.626 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 t -62.75 -38.94 92.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.919 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.0 -101.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -173.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -151.09 27.17 1.0 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.488 HD12 ' CH2' ' A' ' 124' ' ' TRP . 92.1 mt -117.92 172.47 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 109.329 173.043 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.552 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 11.9 m-85 -153.15 -71.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.947 177.704 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -145.25 139.29 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.618 -174.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -113.81 173.42 6.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.066 -176.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.39 9.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 35.5 t30 -56.74 147.39 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 5.3 p -96.67 -17.62 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -177.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.05 -5.49 56.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 179.181 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.18 -177.24 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.511 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -102.38 -43.85 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -176.32 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 81.8 mmm -69.5 -9.44 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -175.239 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.61 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 14.5 t80 -44.56 141.66 2.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 173.198 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -167.46 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.71 133.77 43.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -46.98 147.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 -177.123 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -141.94 152.81 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.561 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 46.3 p -159.77 133.95 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.1 tp -95.78 154.04 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.006 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.0 p -47.6 -37.38 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 178.48 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -131.0 106.64 8.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.787 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.256 -178.613 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 230' ' ' THR . 1.6 p -74.67 -10.89 59.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 -178.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -111.34 -5.28 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -49.36 147.45 3.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.871 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.0 mtm180 -155.19 154.25 31.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 176.342 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.72 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 20.3 mt -71.5 142.89 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 176.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 37.1 t -90.9 168.95 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 176.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -30.77 67.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 110.277 -178.029 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.54 -40.64 92.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.32 -49.38 56.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.371 -177.275 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.771 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.18 -35.33 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -176.589 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 240' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 239' ' ' ILE . 2.5 t-20 -37.13 -44.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -84.25 -47.35 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -176.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -61.55 -17.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -174.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -95.36 -41.81 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 179.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 34.9 t -62.19 -35.94 80.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -178.655 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.7 mt -86.08 -15.3 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -177.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.434 ' CE1' HD21 ' A' ' 130' ' ' LEU . 13.8 m-85 -151.8 -93.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.434 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.08 125.82 1.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.68 26.5 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.445 1.761 . . . . 0.0 111.018 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.03 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 178.07 7.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 179.062 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 141.78 58.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.498 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.5 OUTLIER 167.79 -55.88 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.39 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.97 65.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -96.05 -13.25 23.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.346 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 47.1 m . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.369 179.753 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.741 ' H69' HD21 ' A' ' 164' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -144.43 169.43 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -125.63 -139.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -175.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.819 ' CD2' ' HB2' ' A' ' 169' ' ' ALA . 2.4 m-85 -170.04 171.01 3.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -175.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.08 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.96 -11.65 7.76 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -171.49 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.51 HG22 ' HG2' ' A' ' 91' ' ' LYS . 7.6 mt 64.07 114.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.02 122.55 7.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.595 1.84 . . . . 0.0 111.001 -179.168 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 89' ' ' ILE . 14.1 ptpt 163.89 124.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -173.247 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -71.37 126.96 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 174.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.87 -13.6 56.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -176.597 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -102.9 158.85 15.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 176.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -94.75 -30.37 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 178.163 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -82.33 98.91 9.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 130' ' ' LEU . 20.1 mt -97.27 151.04 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -177.242 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.55 146.54 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 172.555 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -138.85 171.58 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 111.032 177.145 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -164.88 148.89 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.25 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.54 113.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 172.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.19 -41.87 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -174.708 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -155.16 168.41 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.651 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.52 178.2 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -177.442 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.11 144.54 28.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -176.67 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.06 6.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -160.61 -48.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.94 158.38 31.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.01 163.59 35.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.962 170.321 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -56.18 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -172.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.18 -36.14 65.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -176.718 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.98 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -176.058 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.438 HG13 HD21 ' A' ' 195' ' ' LEU . 52.0 t -66.01 -53.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -178.233 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.47 55.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.273 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.0 t -59.12 -47.11 86.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.32 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.41 -38.44 63.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -176.479 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.0 t -78.76 -50.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -47.88 -29.19 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 174.076 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' SER . 12.1 mttm -90.41 -50.78 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.253 -176.663 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.06 -45.82 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -178.484 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.7 mt -55.42 -52.31 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -58.11 -40.14 80.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -176.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.22 -32.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -178.141 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.8 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.6 m95 -91.62 -32.89 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.045 -177.74 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.77 -23.81 19.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 177.453 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.01 -19.09 52.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -174.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 10.9 m -128.36 17.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -172.255 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.2 p -144.99 160.3 46.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 170.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.68 20.28 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 174.484 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 246' ' ' TYR . 77.4 mt -65.69 157.09 31.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -170.176 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.6 p -131.01 157.82 41.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -128.65 134.74 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -175.292 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -125.9 151.82 46.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.006 179.523 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.3 149.89 21.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.289 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.3 mt -130.66 100.24 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 178.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -54.36 -26.17 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.76 160.43 42.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.339 175.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.44 -175.61 30.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.41 147.96 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 0.712 . . . . 0.0 110.276 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.98 155.54 46.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -62.48 -41.84 99.08 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.4 mt -115.47 83.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.55 87.51 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.087 -178.754 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.82 134.38 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 -175.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 166.32 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -174.355 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -125.36 155.99 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 177.643 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.6 142.63 11.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.373 177.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.5 m -105.97 -177.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 174.099 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 150' ' ' GLU . 9.1 ptm180 40.47 -160.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 176.716 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.442 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 3.9 tm-20 -64.41 112.05 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 176.509 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.2 p-80 -109.77 50.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.576 176.494 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.35 -169.51 6.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -177.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.55 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 1.3 m-20 60.05 178.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 109.356 176.79 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.1 t80 -86.94 -6.5 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 -173.002 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -117.73 94.5 46.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 179.261 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -176.83 3.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.468 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -130.26 137.16 49.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 173.919 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 162.77 116.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -177.534 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 153.46 154.36 6.73 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.567 1.167 . . . . 0.0 110.957 174.557 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 175.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.59 -112.97 4.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -175.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 45.47 -153.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.313 178.844 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.468 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -38.29 122.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 176.539 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.726 HD11 ' H65' ' A' ' 256' ' ' INH . 0.1 OUTLIER -101.47 -36.49 8.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 175.84 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.54 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 2.0 p-80 -132.55 158.09 43.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 178.875 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -147.27 161.82 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -178.206 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.487 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 46.6 m-85 -136.88 163.87 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -173.068 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.819 ' HB2' ' CD2' ' A' ' 86' ' ' PHE . . . -57.38 176.03 0.24 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.775 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.93 153.92 42.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 175.65 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 164.17 -131.4 2.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.102 . . . . 0.0 111.035 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.584 1.833 . . . . 0.0 110.999 179.249 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.44 -17.29 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -170.374 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 0.55 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -81.13 -33.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 177.668 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.1 m-80 -86.87 155.67 20.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -176.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.52 -37.32 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.05 -179.131 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 29.0 t0 -75.58 148.67 38.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -119.75 119.71 34.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 22.6 m170 -88.82 127.85 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -176.439 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 16.4 m-85 -112.0 161.77 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 173.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -87.72 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 174.38 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.88 -26.88 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.93 -26.77 59.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.295 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.05 156.52 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.2 tt0 -73.62 155.57 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 176.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.404 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 80.7 m95 -146.26 154.36 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.588 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -136.36 174.35 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 175.637 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -112.14 17.95 19.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 174.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -163.52 -167.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -178.31 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.7 p -89.08 68.0 8.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.409 -176.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.5 t -144.63 21.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 176.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.588 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 178.55 -142.86 5.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.9 m -84.72 71.68 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 110.406 171.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 193' ' ' THR . 24.5 t-20 -39.39 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -176.334 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 113' ' ' VAL . 51.9 tp -56.13 -49.42 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 -171.748 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.538 ' CD2' HD11 ' A' ' 229' ' ' LEU . 1.2 t80 -52.64 -40.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -175.012 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.849 HD22 ' H48' ' A' ' 256' ' ' INH . 1.0 OUTLIER -57.56 -39.97 77.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 178.36 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.6 -30.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.4 ' O ' HD13 ' A' ' 203' ' ' ILE . . . -62.65 -48.61 78.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.207 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.51 -43.06 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -177.763 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.31 -49.73 76.7 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.124 -0.985 . . . . 0.0 110.833 175.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.3 -61.39 2.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 177.202 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 199' ' ' ALA . 1.5 mp -46.91 -40.82 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.01 -53.62 22.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 69.2 m-70 -61.53 -38.06 86.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 109.653 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.9 t -63.13 -39.46 94.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 -178.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.11 -70.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -178.25 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.32 45.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.505 HD12 ' CH2' ' A' ' 124' ' ' TRP . 8.5 mt -115.72 163.67 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 175.465 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 20.5 m-85 -156.32 166.81 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 174.085 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 210' ' ' PHE . 50.6 m170 -38.88 122.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.566 -173.061 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 212' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 30.3 t -80.96 -89.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -175.678 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 171.7 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -176.774 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.07 147.98 50.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 24.6 p -82.27 -27.05 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -178.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -12.62 60.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -177.583 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.716 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -82.12 143.54 31.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -77.87 -11.73 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 174.9 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 219' ' ' MET . . . . . 0.485 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.2 tpt -80.47 -13.68 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.181 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.552 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.5 t80 -55.19 142.88 56.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 178.419 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.05 51.93 2.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -178.277 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.11 138.56 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 175.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -71.57 151.8 43.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 177.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -169.72 122.92 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.2 p -96.62 133.96 40.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 227' ' ' THR . 44.9 tp -90.49 137.82 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 178.265 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 227' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 226' ' ' LEU . 67.2 p -33.57 -61.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 100.52 7.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 176.591 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.713 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.58 -18.73 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -177.3 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 230' ' ' THR . . . . . 0.43 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -60.2 -11.4 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -177.874 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -116.45 -5.89 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 -178.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.12 150.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -175.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 153.31 31.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.177 . . . . 0.0 110.319 179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.8 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 7.7 mt -77.06 135.72 38.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 176.318 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 235' ' ' SER . . . . . 0.716 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 27.1 p -67.18 157.35 33.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 177.528 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -30.12 40.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -178.599 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -42.31 83.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -70.44 -44.65 67.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.394 -176.189 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -63.43 -37.2 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -177.513 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.34 -44.85 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.523 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.84 7.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -175.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -62.5 -21.58 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -175.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -85.92 -45.65 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 24.1 p -51.09 -33.34 25.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.046 -177.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.13 -32.95 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.741 ' CE2' HD11 ' A' ' 130' ' ' LEU . 28.1 m-85 -129.81 -93.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -178.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.7 117.02 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.167 . . . . 0.0 110.988 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 177.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.1 32.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.9 7.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.042 179.137 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.14 162.3 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 16.4 m -156.6 75.67 4.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 75.89 3.61 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.546 1.814 . . . . 0.0 110.966 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.92 134.64 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.428 -179.715 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.849 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.555 0.217 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -146.45 179.04 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.7 p -127.57 -157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 178.548 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.584 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -144.66 174.14 3.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -176.007 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.04 82.1 2.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 177.264 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.96 -11.79 4.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.143 . . . . 0.0 111.031 -173.232 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt 66.94 113.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.596 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.93 128.95 11.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.551 1.817 . . . . 0.0 111.065 178.442 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 pttt 175.59 120.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -178.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -69.65 148.31 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 107.996 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -89.07 -1.38 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -174.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 149.35 47.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 178.334 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -85.9 -29.41 23.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -73.46 80.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 130' ' ' LEU . 67.6 mt -79.64 154.92 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -178.005 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.45 152.03 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 175.173 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -142.71 174.57 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -165.4 152.47 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -178.241 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mm -106.42 115.47 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 172.312 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.72 -38.91 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -174.337 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -159.21 168.04 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.565 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -122.42 179.24 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -176.056 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.81 142.52 24.97 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -177.855 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -75.01 66.84 6.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.373 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -161.56 -48.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.6 mt -102.29 157.0 34.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.03 165.52 31.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 170.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -62.94 -61.24 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -175.152 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.94 -37.79 33.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -176.652 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.98 -45.55 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -175.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.05 -53.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -178.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.86 -33.81 57.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.666 1.229 . . . . 0.0 109.305 -178.229 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -62.72 -47.99 81.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.83 -43.26 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.451 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 18.0 t -71.31 -54.32 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -44.48 -35.04 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 7.8 mttm -80.8 -49.63 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -176.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.38 -35.4 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 21.7 mt -66.95 -51.23 57.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -60.93 -38.38 85.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.706 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.05 -35.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.24 -179.232 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.759 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 64.5 m95 -88.48 -36.76 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.039 -177.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.79 -23.18 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.244 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.6 -18.89 50.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -174.504 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.557 HG23 HG21 ' A' ' 242' ' ' ILE . 13.9 m -128.87 19.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -174.365 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.9 p -144.09 158.92 54.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 170.366 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.14 21.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 175.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 97' ' ' LEU . 37.1 mt -63.56 156.81 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -171.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -134.16 134.82 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 174.351 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.86 130.6 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -174.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -119.0 149.85 40.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -91.71 151.97 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -178.193 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.5 mt -132.4 107.63 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 177.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -64.92 -18.4 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -178.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -160.39 166.02 30.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 174.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.28 -173.08 33.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 177.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.82 148.54 24.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.378 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.89 155.43 46.76 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.12 -35.9 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -176.685 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.55 81.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 178.27 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.74 88.73 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -178.761 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.3 133.61 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.8 p -140.58 156.25 46.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.955 -173.604 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -116.06 148.3 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.985 174.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.59 143.54 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.9 m -106.2 164.57 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 175.726 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 148' ' ' VAL . 33.7 ptt85 43.88 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 175.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.32 110.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 177.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.0 p-80 -111.65 35.26 3.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 171.823 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 78.72 -176.13 54.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -176.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' CB ' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER 61.9 -168.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 178.022 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.9 t80 -98.66 -1.98 39.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 -171.161 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.459 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -118.34 96.76 50.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.499 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 175.53 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.503 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.3 OUTLIER -143.02 -168.31 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 178.416 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 7.2 t0 80.84 115.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 178.379 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 172.25 176.22 40.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 177.52 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 81.42 2.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 178.189 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.5 -105.85 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -176.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.27 -155.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 109.28 177.7 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -36.17 121.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.729 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.435 HD21 ' H65' ' A' ' 256' ' ' INH . 10.3 mt -96.01 -40.2 9.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 176.146 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.08 142.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -135.33 161.09 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.858 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -145.48 170.58 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.39 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 73.8 m-85 -143.57 146.66 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -175.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -46.27 167.64 0.13 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 175.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -75.01 155.54 42.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 165.1 -126.84 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -176.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.64 -17.98 63.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -168.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.57 -30.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 0.733 . . . . 0.0 109.369 177.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.2 m-20 -88.97 154.77 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -175.729 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.24 -32.42 4.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 178.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -74.99 162.86 28.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.539 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -131.17 118.45 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 178.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -96.3 122.21 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -174.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 175.133 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.99 134.33 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 174.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.46 -23.69 13.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.162 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 53.94 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -176.298 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -167.2 168.38 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 172.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.97 155.82 34.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -176.742 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -144.16 157.55 44.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 177.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.618 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.7 p -140.38 172.63 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.46 176.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -115.89 20.86 14.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -163.79 176.12 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 -178.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.0 p -77.22 87.86 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.392 -177.284 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.2 t -156.94 -43.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 177.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.618 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.01 -137.54 6.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 173.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 70.6 m -80.93 87.94 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.445 171.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.573 HD21 HD13 ' A' ' 229' ' ' LEU . 15.1 t-20 -51.88 105.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -177.772 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.18 -51.54 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 -173.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -55.46 -42.66 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -174.65 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.858 HD22 ' H48' ' A' ' 256' ' ' INH . 0.5 OUTLIER -59.14 -37.35 77.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 178.437 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.99 -32.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.07 87.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.803 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.38 -49.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -52.84 -50.27 64.08 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 121.119 -0.988 . . . . 0.0 110.84 177.15 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.858 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -50.93 -68.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.428 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.412 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.2 mp -51.62 -33.17 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.72 -48.44 29.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 177.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.758 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.9 m-70 -72.05 -37.2 69.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.55 179.592 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.7 t -57.36 -42.83 82.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.43 -86.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 -176.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.62 37.97 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.565 HD12 ' CH2' ' A' ' 124' ' ' TRP . 7.0 mt -109.11 164.05 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 175.226 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.3 m-85 -158.14 164.12 36.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 176.166 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -37.72 126.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.585 -171.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 28.8 m -91.44 165.89 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -75.71 -33.93 60.34 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 178.043 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.28 149.27 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.235 178.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 68.1 p -105.43 -12.34 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.69 -4.91 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.5 163.81 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -177.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.4 OUTLIER -80.0 -16.54 54.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 177.125 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.41 -12.31 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 -177.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.533 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.3 t80 -60.72 132.75 91.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.397 1.061 . . . . 0.0 110.999 178.763 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.97 63.04 5.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 111.005 -179.218 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.0 132.47 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.99 144.93 53.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.14 123.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.663 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.2 p -105.68 134.24 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.1 tp -82.76 152.52 25.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 178.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.6 t -51.77 -27.8 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 178.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.23 106.53 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.213 176.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.68 -18.44 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.143 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 t -62.83 -6.93 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -113.63 -6.78 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -178.128 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.664 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.88 143.8 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -176.435 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 233' ' ' ARG . . . . . 0.473 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -152.84 153.34 32.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 177.308 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.759 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 6.9 mt -76.0 134.25 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 176.328 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.6 p -67.49 169.88 8.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -63.03 -25.63 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -178.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.12 -41.03 97.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.24 -48.54 56.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -175.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.729 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.43 -41.81 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -176.444 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -45.81 45.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.89 -47.97 8.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -175.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -64.34 -20.43 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -175.155 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -91.28 -36.74 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 20.3 m -56.49 -33.04 65.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -177.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 90' ' ' PRO . 5.1 mt -94.3 -14.21 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -176.092 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.521 ' CE2' HD11 ' A' ' 130' ' ' LEU . 44.8 m-85 -138.81 -93.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 177.786 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.15 113.72 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 172.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.96 28.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 178.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.57 8.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.12 154.81 41.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 169.08 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.115 . . . . 0.0 110.04 -178.173 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 253' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.99 94.79 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.67 -52.23 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 47.8 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.398 -179.584 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.858 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.962 ' CE1' HD22 ' A' ' 209' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.476 0.179 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -91.83 159.44 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.2 p -147.36 -75.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -175.233 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 174.16 167.91 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 173.886 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.99 111.94 3.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.715 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.25 -11.69 63.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.1 mt 49.5 71.02 1.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.05 13.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 170.462 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -159.39 149.96 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -176.145 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.49 135.44 56.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.019 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.88 -6.61 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -178.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -110.56 151.38 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 p -90.94 -32.46 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.421 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -74.78 76.17 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.54 HD11 HD13 ' A' ' 130' ' ' LEU . 76.7 mt -75.28 156.24 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -177.728 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.12 156.45 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 175.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -149.78 170.84 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 178.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -165.73 137.43 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -176.156 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.0 mp -100.56 118.21 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 175.06 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.7 -40.81 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.214 -175.017 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -152.43 172.19 16.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -178.287 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -128.23 -172.36 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.925 -175.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.76 143.29 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -176.607 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.02 62.87 5.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 178.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.71 -48.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 108' ' ' LEU . 20.7 mt -103.93 158.86 31.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.05 167.37 27.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 172.271 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -62.6 -62.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 -172.061 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.07 -35.16 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -175.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.01 -39.1 93.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -176.369 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.44 -51.2 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 -179.263 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.77 -33.09 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -60.75 -46.43 90.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.36 -39.52 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -178.42 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.25 -51.74 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.104 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -45.24 -33.03 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.0 mttm -85.97 -53.62 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -175.717 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.13 -41.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -177.761 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.92 -53.5 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -33.27 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -173.89 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.579 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.16 -32.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.415 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.609 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 85.2 m95 -86.76 -35.4 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.84 -26.56 36.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.54 -18.37 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 110.254 -176.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.641 HG23 HG21 ' A' ' 242' ' ' ILE . 8.4 m -131.04 17.2 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -173.171 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 77.7 p -144.9 159.71 49.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.59 21.47 Favored 'Trans proline' 0 C--N 1.362 1.261 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 246' ' ' TYR . 48.8 mt -61.56 153.75 26.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -172.398 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -134.5 134.57 41.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 173.405 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.83 141.9 37.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 111.018 -172.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -131.39 161.15 33.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -109.1 152.38 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.8 mt -131.67 136.75 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.337 178.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -88.89 -9.01 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -155.12 170.82 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 177.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.26 -169.4 49.61 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 177.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.69 106.81 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 110.304 -178.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.52 163.18 26.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -43.38 97.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -178.405 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.6 mt -113.74 88.64 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.17 92.15 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.92 146.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -178.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 m -154.07 169.19 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -176.074 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 19.0 m-85 -127.31 149.55 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 176.237 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.03 146.31 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 183' ' ' ASP . 4.3 m -105.66 153.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 176.026 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 45.6 -163.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 178.381 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.45 122.8 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 42.3 p-80 -131.87 37.53 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -171.776 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 104.67 -58.48 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.577 1.173 . . . . 0.0 110.987 172.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.484 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.4 p30 -73.6 175.34 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.743 . . . . 0.0 109.283 -173.473 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.8 t80 -83.43 -0.37 49.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -174.093 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.48 95.32 22.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 173.433 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -170.63 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.429 1.752 . . . . 0.0 110.958 -177.575 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -136.48 -178.89 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.195 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -71.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -178.716 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 152.06 -94.5 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.67 12.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.052 178.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.94 -170.73 49.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 52.44 -161.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 0.794 . . . . 0.0 109.377 178.775 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 157' ' ' PHE . 19.3 t -44.87 120.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.471 HD11 ' C31' ' A' ' 256' ' ' INH . 12.8 mt -88.84 -42.04 12.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 171.715 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.95 139.7 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 177.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 1.7 p-80 -130.97 163.69 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 -176.024 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.884 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -155.35 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.444 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER -142.95 145.07 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -176.805 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -50.54 173.91 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 173.838 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.05 158.25 42.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.945 -176.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 165.82 -128.83 1.83 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -177.194 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.92 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 0.0 110.967 176.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.0 61.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 -170.188 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 5.7 tp -85.09 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 109.39 178.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 4.2 m-20 -88.64 157.1 18.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -176.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.87 -27.33 8.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 165.78 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 0.702 . . . . 0.0 109.356 -177.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.553 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -136.56 122.22 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -106.4 121.96 45.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.561 -175.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 30.8 m-85 -103.84 167.77 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 174.657 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.34 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -12.51 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.367 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 148' ' ' VAL . 0.3 OUTLIER -92.15 23.93 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -177.489 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -143.04 156.77 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.239 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.0 tt0 -73.47 156.25 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.423 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 186' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 87.4 m95 -143.51 155.73 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 107.995 177.527 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.524 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 0.1 OUTLIER -145.92 169.66 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 176.583 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 8.18 44.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 178.564 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.64 -164.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.7 p -96.22 57.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -176.491 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.7 t -124.8 10.59 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 173.234 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.524 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -170.52 -143.12 3.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 m -83.76 93.98 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 170.206 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 194' ' ' ASN . . . . . 0.548 HD21 HD13 ' A' ' 229' ' ' LEU . 10.9 t-20 -54.14 109.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -176.628 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.4 -57.73 6.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -173.404 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 196' ' ' PHE . . . . . 0.589 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -52.09 -46.4 65.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 111.06 -174.047 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.794 HD21 ' H48' ' A' ' 256' ' ' INH . 0.9 OUTLIER -63.19 -35.77 81.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -177.936 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.66 -31.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 199' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -58.49 -39.64 80.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -178.62 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 200' ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' ' 120' ' ' ALA . . . -60.71 -47.67 85.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.31 -49.54 74.02 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 121.12 -0.988 . . . . 0.0 110.898 177.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.884 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -52.33 -61.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 177.713 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.08 -35.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -174.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.11 -43.99 83.54 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 178.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 205' ' ' HIS . . . . . 0.881 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 44.2 m-70 -65.04 -35.26 80.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.593 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.3 m -71.45 -31.44 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -177.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.56 -99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 208' ' ' GLY . . . . . 0.418 ' O ' HD11 ' A' ' 245' ' ' LEU . . . -154.13 26.53 0.71 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -175.735 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 209' ' ' LEU . . . . . 0.962 HD22 ' CE1' ' A' ' 83' ' ' PHE . 74.8 mt -122.91 169.29 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 173.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 210' ' ' PHE . . . . . 0.629 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.2 m-85 -146.01 -57.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 172.85 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 41.4 m170 -149.23 123.51 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -178.097 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 79.6 p -78.94 -105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -177.291 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -179.55 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -176.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.7 149.9 29.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 75.6 p -86.56 -27.59 23.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -176.621 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.36 -3.31 58.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -176.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.97 -153.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -126.99 -50.2 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -174.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.3 mmm -66.04 -10.72 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -178.129 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 220' ' ' TYR . . . . . 0.521 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.8 t80 -45.75 133.21 6.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.916 174.71 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.23 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 109.305 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.5 144.1 54.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -145.04 123.96 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 -177.745 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 78.5 p -107.41 177.32 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 178.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.5 tp -155.25 146.17 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -51.14 -32.88 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.56 108.76 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 177.076 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.24 -18.03 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.222 -178.046 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -8.79 3.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.46 -6.02 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -176.602 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -55.89 143.27 32.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 111.03 -177.735 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -156.91 147.95 21.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 234' ' ' LEU . . . . . 0.609 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 40.2 mt -68.5 125.25 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 174.309 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 59.4 m -70.16 162.44 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.02 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.11 -28.51 40.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.31 -41.96 98.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.46 -47.99 76.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -178.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -67.91 -36.31 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -175.036 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -49.23 -44.67 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 241' ' ' GLY . . . . . 0.428 ' HA3' ' CD2' ' A' ' 83' ' ' PHE . . . -77.19 -56.48 3.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -177.137 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.6 tp -53.91 -44.77 62.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 109.335 -173.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -71.63 -26.52 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -176.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 37.2 t -68.94 -29.15 67.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 177.292 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 245' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 208' ' ' GLY . 1.0 OUTLIER -80.33 -28.34 38.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 176.217 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 246' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 130' ' ' LEU . 37.5 m-85 -142.0 -90.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -176.339 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.48 119.16 3.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 177.062 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.22 27.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.45 7.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.68 8.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.45 159.2 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 2.3 p -70.69 149.27 95.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.06 5.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.74 160.07 16.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.397 -179.851 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 256' ' ' INH . . . . . 0.794 ' H48' HD21 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.7 p -116.86 -126.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.643 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 178.28 170.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -175.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.96 85.21 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.58 1.832 . . . . 0.0 111.008 177.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.4 -7.64 5.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.1 mt 67.15 115.96 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.476 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -75.0 129.48 12.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.2 pttp 176.91 123.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -74.47 149.82 40.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -84.59 -4.4 58.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -134.05 148.23 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.1 p -85.87 -34.77 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.83 85.36 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.74 162.27 18.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 150.38 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.3 p90 -143.49 169.98 16.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -166.04 138.09 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.45 114.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.3 t -73.82 -40.52 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -147.48 163.54 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.47 -172.68 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.75 143.2 28.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 -178.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.0 62.42 5.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.75 -48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.9 mt -103.77 159.91 27.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.11 25.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 171.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.74 -34.47 52.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.88 -45.34 86.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.35 -52.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -53.72 -33.44 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -42.25 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.1 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 25.4 t -68.79 -55.1 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.89 -34.8 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.98 -50.86 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.24 -41.82 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 25.4 mt -61.62 -53.05 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -57.34 -40.45 78.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -52.29 -35.35 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.672 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.6 m95 -93.22 -30.79 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.11 -23.46 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.45 -19.36 53.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 242' ' ' ILE . 6.5 m -129.73 17.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -171.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -145.92 160.54 43.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 168.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.14 20.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 111.011 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' A' ' 246' ' ' TYR . 86.3 mt -60.34 155.04 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -170.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.7 p -132.94 164.58 26.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -136.26 157.74 46.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -173.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -154.15 145.38 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -96.29 148.81 22.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.4 mt -125.74 111.15 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -55.48 -25.5 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -155.02 160.23 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.14 -172.44 17.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -105.77 102.9 12.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.343 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.81 161.95 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.25 -46.89 81.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.47 88.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.4 mtt -91.14 87.38 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.19 123.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -142.99 125.3 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 4.8 m-30 -85.04 160.87 19.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.81 141.51 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.2 m -96.43 164.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 173.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 41.35 -149.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.94 141.78 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.575 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 52.3 p-80 -156.66 48.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 84.63 179.93 51.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 46.04 -160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.57 75.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.575 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.31 67.59 5.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 176.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.72 2.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -168.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.467 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 51.34 -152.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.467 HG12 ' CE1' ' A' ' 157' ' ' PHE . 41.0 t -37.08 116.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 193' ' ' THR . 9.6 mt -89.72 -40.1 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 141.01 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -127.55 161.03 29.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.67 155.64 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -111.16 167.43 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.29 168.69 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 176.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -69.69 146.47 51.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.54 -30.86 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.93 167.84 21.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.76 . . . . 0.0 109.332 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.36 131.05 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 3.8 m170 -116.1 134.8 54.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.9 m-85 -102.71 -178.06 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -99.86 111.38 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.72 -17.79 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.42 ' N ' HG12 ' A' ' 148' ' ' VAL . 12.9 t0 -89.74 49.91 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.51 151.12 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -74.24 154.72 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -142.85 155.88 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 -176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.565 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 24.4 p -144.61 172.53 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -112.87 19.45 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.32 -179.79 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.2 p -75.21 84.34 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.7 t -156.58 -43.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.565 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.4 -135.4 8.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 173.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 194' ' ' ASN . 91.9 m -99.56 78.63 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.387 167.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 229' ' ' LEU . 16.0 t-20 -33.77 115.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -173.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.36 -58.41 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.46 -46.56 26.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.603 ' CD2' HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -53.78 -40.99 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.28 -30.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -70.5 -38.5 74.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.863 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.32 -22.76 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -76.41 -59.13 2.9 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 121.132 -0.98 . . . . 0.0 110.824 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -52.81 -50.27 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.476 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -53.81 -36.4 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -178.185 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.8 -44.45 70.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 43.9 m-70 -61.79 -38.82 89.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.645 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 41.6 m -68.54 -36.29 78.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.11 -48.74 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 134.21 56.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.862 HD22 HD12 ' A' ' 242' ' ' ILE . 1.5 pt? -163.24 145.86 10.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 171.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 211' ' ' HIS . 26.8 m-85 -120.0 -173.36 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 49.0 m170 -40.03 138.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.578 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.03 176.4 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -103.49 56.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 5.8 t-20 -154.82 145.91 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.5 t -90.12 -25.99 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.93 -14.12 59.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.92 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -15.65 30.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -177.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.601 ' N ' HD23 ' A' ' 218' ' ' LEU . 91.7 mmm -80.05 -8.81 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.1 t80 -58.9 145.0 80.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.04 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.09 134.46 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -53.64 143.07 21.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -144.35 124.22 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 6.5 m -117.62 177.33 4.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.68 149.68 33.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.9 t -47.28 -35.73 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -142.52 98.07 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.17 -18.43 65.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -8.22 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.5 mmt-85 -116.34 -6.09 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.674 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -44.57 152.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -175.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -157.21 156.47 32.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.742 HD11 ' CG1' ' A' ' 123' ' ' VAL . 7.5 mt -78.97 142.18 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 159.03 31.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -54.28 -30.24 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -44.04 83.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -50.78 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.811 HG23 ' OE1' ' A' ' 243' ' ' GLN . 2.1 mp -57.86 -38.94 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 239' ' ' ILE . 49.7 t-20 -38.34 -52.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.15 -49.2 6.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.862 HD12 HD22 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -56.52 -27.36 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 -173.319 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 239' ' ' ILE . 0.0 OUTLIER -93.63 -40.13 10.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 8.0 m -58.79 -25.08 62.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 90' ' ' PRO . 13.6 mt -91.56 -16.37 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.497 ' CE1' HD21 ' A' ' 130' ' ' LEU . 28.6 m-85 -143.72 -94.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 101.52 115.15 3.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.87 28.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.94 32.34 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.221 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -119.69 -114.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.86 170.38 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -178.145 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.12 81.66 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.51 -9.33 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -173.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' HG2' ' A' ' 91' ' ' LYS . 43.0 mt 66.2 112.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.41 10.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG2' HG22 ' A' ' 89' ' ' ILE . 12.2 ptpt 172.4 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -68.65 152.5 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 108.049 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -87.33 -4.79 59.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.54 143.39 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -86.88 -38.19 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -75.09 78.2 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.563 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.48 154.9 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.75 145.6 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 172.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.2 p90 -138.86 171.98 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -163.26 147.65 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -102.33 118.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -80.88 -40.36 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -152.03 166.33 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.49 156.38 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 1.3 t -79.79 143.14 57.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.9 64.23 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.75 -48.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 108' ' ' LEU . 25.6 mt -101.07 158.13 32.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.03 169.43 22.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -64.77 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -37.98 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.11 -45.47 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -175.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -53.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -34.44 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -57.46 -45.46 84.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.93 -40.19 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 99' ' ' TYR . 4.9 t -77.02 -52.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.369 1.043 . . . . 0.0 109.264 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -46.62 -30.07 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.2 mttm -88.84 -51.56 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.49 -39.74 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 76.7 mt -66.06 -53.13 42.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -35.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.9 -35.96 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -177.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.7 m95 -89.79 -29.7 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.007 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.49 -23.1 24.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.72 -19.61 51.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.553 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -130.61 16.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -171.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.9 p -144.66 159.25 51.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 171.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.76 20.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 246' ' ' TYR . 67.9 mt -59.13 154.56 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -170.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.8 p -135.38 134.48 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.24 145.22 40.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -141.81 146.37 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -95.25 150.96 19.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.9 mt -126.4 100.69 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.347 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -49.62 -30.18 8.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.33 163.36 36.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.357 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.27 -169.71 30.78 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -94.7 147.77 22.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.08 162.15 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.37 -42.79 98.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.92 94.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.2 mmt -90.8 82.31 5.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.09 131.4 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -173.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -153.05 142.22 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.1 m-30 -101.94 160.63 14.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.76 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.5 m -93.95 167.37 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.8 OUTLIER 35.66 -134.91 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 176.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.7 141.61 56.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.614 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 56.7 p-80 -166.41 43.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 176.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.56 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 89.3 179.8 45.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER 43.59 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 177.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 154' ' ' PHE . 2.7 p90 -131.0 80.69 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 111.023 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.614 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.02 77.5 5.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 115.32 4.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.812 . . . . 0.0 111.026 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.755 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.3 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.72 -162.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.755 HG12 ' CE1' ' A' ' 157' ' ' PHE . 38.2 t -34.26 112.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 170.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.14 -40.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.9 2.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.59 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 7.4 p-80 -127.65 163.37 24.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -161.6 157.87 25.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -113.53 175.28 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.732 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -68.59 172.85 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.732 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 -174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -85.79 163.12 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.52 -37.73 2.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.7 t0 -72.3 152.46 42.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.302 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -120.45 139.12 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.384 1.052 . . . . 0.0 109.378 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -121.06 136.25 55.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.619 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 30.0 m-85 -109.93 -178.92 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -95.12 134.79 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.86 -20.66 14.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.46 51.56 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -163.98 153.5 14.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 56.8 tp60 -74.38 154.99 38.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.264 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.501 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 95.2 m95 -143.72 156.68 44.6 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.667 HG21 ' HA3' ' A' ' 192' ' ' GLY . 31.7 p -134.56 163.47 29.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -92.05 -24.1 19.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -134.42 -172.03 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.3 p -75.33 69.66 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.447 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.1 p -135.29 13.18 3.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 110.398 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.667 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 175.59 -139.01 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 27.6 m -84.01 87.15 7.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.428 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.65 114.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.84 -51.47 55.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -51.22 -54.39 26.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 -178.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.3 OUTLIER -57.46 -34.87 69.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -177.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.26 -31.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.78 -34.1 74.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -174.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.811 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -75.05 -59.02 2.93 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 121.202 -0.936 . . . . 0.0 110.835 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 203' ' ' ILE . 0.9 OUTLIER -53.23 -49.72 66.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.479 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.5 OUTLIER -54.28 -39.8 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -178.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.86 -41.7 52.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.642 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 87.8 m-70 -64.28 -42.12 96.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.644 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.7 t -64.61 -31.68 73.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.25 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -162.61 34.38 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.936 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 242' ' ' ILE . 13.7 mt -126.75 177.33 6.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 24.4 m-85 -152.74 -68.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.928 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 42.2 m170 -148.1 134.78 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.531 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 7.0 m -91.36 -99.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.459 1.1 . . . . 0.0 110.022 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.81 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.209 -176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.6 148.32 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.8 t -89.71 -21.84 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.55 -13.57 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.93 168.59 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -98.86 -16.63 18.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 177.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 0.0 OUTLIER -81.87 -15.34 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -177.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.541 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 31.9 t80 -47.81 140.63 8.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.541 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.96 50.75 2.59 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 2.5 tp -168.04 150.55 5.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.54 149.9 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -158.56 123.12 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 149.66 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.055 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.4 tp -123.52 128.73 50.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 226' ' ' LEU . 27.5 m -34.72 -57.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -98.48 91.23 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -74.03 -18.34 60.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -174.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.409 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -61.98 -7.0 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 -177.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 229' ' ' LEU . 29.7 mtt-85 -114.72 -5.96 12.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -52.35 144.34 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -177.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.489 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 6.4 ttt180 -154.49 155.68 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.7 mt -72.02 133.95 45.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.7 p -70.72 168.73 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -62.08 -27.84 69.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.11 -35.65 67.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -50.8 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.667 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -59.16 -35.11 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.56 -49.0 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.58 -52.86 4.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.58 -46.33 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.227 -174.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -27.7 59.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -174.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -67.55 -38.2 83.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.37 -40.1 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.402 ' CE2' HD11 ' A' ' 130' ' ' LEU . 43.9 m-85 -112.26 -90.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.92 112.81 2.76 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.51 26.83 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 110.925 179.265 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -130.41 134.57 47.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.394 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.69 170.8 0.27 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.65 6.72 12.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.6 mt 55.89 96.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.289 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt 172.56 123.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -65.08 156.19 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -94.65 -4.1 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 110.233 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -123.38 150.6 43.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.0 p -89.93 -30.7 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.9 74.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.58 159.13 30.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.251 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.93 149.39 50.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -139.88 173.47 11.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -165.42 146.25 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -101.59 115.96 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.94 -40.48 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -175.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -157.95 171.52 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -123.75 -170.74 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -116.01 143.89 31.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -177.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 67.46 5.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -162.63 -47.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 108' ' ' LEU . 21.4 mt -104.85 158.36 32.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.99 169.01 23.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 171.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.81 -60.27 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -51.12 -35.63 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.58 -45.97 87.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.23 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.61 -51.14 60.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.11 -34.59 63.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -60.78 -46.86 88.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.78 -40.56 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.12 -52.1 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.36 -30.11 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -86.74 -53.46 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.32 -45.49 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.56 -52.62 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.44 -35.3 77.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.36 -34.83 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -178.264 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.5 m95 -87.19 -33.25 19.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.77 -24.25 34.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.44 -18.23 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.63 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -132.88 21.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -171.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.491 ' CG2' HG12 ' A' ' 242' ' ' ILE . 73.0 p -145.81 160.2 44.68 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 171.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.23 21.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 173.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 58.3 mt -58.39 156.27 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -172.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.6 p -137.75 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -106.46 125.49 51.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.2 t -106.25 162.1 13.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.37 146.99 28.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -133.24 136.12 45.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -95.4 -10.54 29.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.11 171.29 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.66 -175.78 45.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.3 104.42 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.48 160.02 26.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -39.47 94.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.4 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.8 mt -117.6 88.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -90.56 90.46 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.39 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -155.2 165.24 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.015 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -119.11 141.61 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -153.44 166.73 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 109.271 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.53 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -134.74 176.61 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 148' ' ' VAL . 19.7 ptp180 33.52 -153.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 33.3 tt0 -59.29 110.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.653 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 26.3 p-80 -120.15 26.5 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.661 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 112.63 38.1 1.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 155' ' ' TYR . 2.1 t0 178.22 -164.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -107.29 64.69 0.64 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.99 64.23 3.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 149' ' ' ARG . 18.3 Cg_endo -75.08 131.08 13.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -170.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.53 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 4.3 m-30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 111.073 171.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.5 -156.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.3 t -40.42 111.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.1 mt -80.01 -39.86 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.16 143.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.422 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -126.61 171.34 11.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -151.29 163.68 38.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -122.5 150.57 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.834 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -59.01 177.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 171.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -89.75 153.95 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.02 -22.98 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.49 166.38 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.241 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.668 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -133.76 106.61 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -93.66 120.2 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.594 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.46 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 40.7 m-85 -96.99 156.46 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.054 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -78.83 106.52 10.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -76.79 -29.36 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.97 52.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -164.03 146.68 9.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -71.91 154.86 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.223 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -139.93 155.77 47.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.663 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.5 p -138.09 179.5 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -118.32 14.12 13.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -162.36 179.24 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.5 p -79.43 77.89 5.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.6 t -143.42 -42.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.663 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.86 -134.57 5.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 32.6 m -92.21 88.43 6.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 110.389 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -48.83 117.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 199' ' ' ALA . 56.3 tp -69.04 -54.96 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -175.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.2 OUTLIER -51.84 -50.39 60.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.043 -176.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.6 OUTLIER -59.19 -35.21 73.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 t -76.5 -31.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -61.34 -40.17 93.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.3 -45.17 92.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.07 -51.42 66.41 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.668 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 0.3 OUTLIER -51.94 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 177.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.39 -41.81 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.55 -44.96 23.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.9 m-70 -71.58 -39.57 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.613 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.1 t -59.25 -35.5 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 242' ' ' ILE . 67.9 mt -72.59 -67.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -178.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.41 53.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.92 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.5 OUTLIER -153.49 126.92 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.733 . . . . 0.0 109.293 173.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 211' ' ' HIS . 35.3 m-85 -107.52 -176.16 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 210' ' ' PHE . 40.3 m170 -36.68 135.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.62 -173.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 p -92.3 -163.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -130.48 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.69 148.36 14.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 7.1 p -85.02 -23.46 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.396 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.7 -15.49 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.47 158.32 20.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.16 -27.22 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.616 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -66.4 -19.89 65.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 17.4 t80 -44.18 143.18 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 172.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -74.92 -35.61 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -169.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -74.46 131.07 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -65.55 147.13 53.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.3 123.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 83.5 p -119.35 133.66 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 227' ' ' THR . 62.2 tp -82.79 126.71 32.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 226' ' ' LEU . 39.2 m -34.38 -58.49 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.463 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -97.98 90.02 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.78 -18.9 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -173.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -7.97 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 229' ' ' LEU . 18.2 mmm180 -111.51 -6.08 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -54.62 144.99 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 -177.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -155.18 158.87 39.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 176.522 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.603 HD11 ' CG1' ' A' ' 123' ' ' VAL . 20.3 mt -77.68 130.42 36.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 87.4 p -73.75 166.28 23.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -55.76 -31.87 62.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -58.88 -39.2 80.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.86 -45.21 59.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -66.02 -34.68 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -52.54 -45.94 66.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.56 -57.59 4.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.77 HD12 ' CD2' ' A' ' 209' ' ' LEU . 1.2 tp -52.57 -45.62 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.76 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.7 m -71.62 -31.86 67.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.938 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.46 -18.31 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.1 m-85 -146.5 -91.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.908 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.88 119.33 3.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.01 28.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.036 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 123.79 8.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 0.0 111.039 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 178.181 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.7 p -131.34 138.63 49.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.6 OUTLIER -55.25 169.79 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 175.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.46 1.768 . . . . 0.0 111.046 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.9 -9.01 5.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 245' ' ' LEU . 65.2 mt 66.44 104.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.378 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.749 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -74.97 130.53 13.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 178.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.3 pttt 177.65 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -62.78 153.92 31.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -88.97 -3.9 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.45 158.69 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 p -90.06 -31.67 17.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -74.68 92.81 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.612 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 130' ' ' LEU . 59.6 mt -96.01 149.54 21.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.06 151.08 42.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 172.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -139.76 171.77 13.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -162.41 148.52 12.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.4 116.34 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.269 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.16 -40.37 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -157.72 172.05 19.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -128.69 -171.2 2.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -111.77 144.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.346 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 68.32 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.098 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.22 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -98.83 157.2 34.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.507 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.0 167.28 27.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 170.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -62.55 -63.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.49 -34.25 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.46 -45.82 89.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.31 -52.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.98 -37.54 64.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.946 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.07 -42.21 62.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.391 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.45 -50.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -48.14 -28.05 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -88.62 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.84 -42.65 68.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.86 -50.98 67.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -60.48 -41.42 94.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -51.35 -31.92 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 -178.184 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.78 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 83.1 m95 -88.75 -34.46 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.99 -24.7 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 0.0 110.306 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -19.22 60.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 242' ' ' ILE . 5.6 m -131.5 16.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 -172.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 68.8 p -144.28 158.64 54.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.79 21.49 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 246' ' ' TYR . 70.4 mt -58.36 154.13 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -170.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.82 134.26 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.41 125.02 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 -172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.9 t -104.08 161.92 13.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 110.073 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -106.11 149.72 26.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.277 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 71.6 mt -136.44 144.43 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -109.26 -6.38 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.07 170.36 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -158.22 49.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -104.03 160.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.27 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.48 158.21 44.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -62.17 -37.66 86.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.12 86.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.21 89.2 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.51 143.39 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -152.42 153.29 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.069 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.37 147.93 33.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.18 144.14 19.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.8 156.01 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 169.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 54.04 -170.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.54 137.71 29.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CD2' ' OD1' ' A' ' 153' ' ' ASP . 25.2 p-80 -134.68 47.97 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -174.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.4 67.56 2.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.626 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.5 p-10 -178.04 -173.08 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -171.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.37 3.59 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -118.41 91.91 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 175.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 178.71 6.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.617 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.105 -175.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 52.81 -157.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.617 HG12 ' CE1' ' A' ' 157' ' ' PHE . 58.3 t -36.98 116.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.72 -41.34 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.381 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.01 143.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.442 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 1.7 p-80 -134.35 165.85 24.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.67 171.17 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.57 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 54.7 m-85 -143.33 164.24 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -173.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -52.37 159.8 1.49 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.239 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.407 ' HA ' ' CA ' ' A' ' 176' ' ' GLY . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -86.72 146.44 26.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 170' ' ' PRO . . . 94.24 -32.99 5.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 148.61 39.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.772 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -114.05 130.61 56.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -110.25 121.06 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.622 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.511 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 44.8 m-85 -103.65 168.86 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.36 132.7 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 -18.47 17.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 176.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.35 49.19 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.82 145.87 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -139.16 158.0 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.602 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 49.5 p -141.85 171.81 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.471 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -111.29 14.53 21.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -179.31 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.9 p -82.8 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.8 t -114.22 -16.58 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 110.432 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.38 -146.14 5.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 194' ' ' ASN . 96.0 m -88.45 74.69 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 167.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.4 t30 -34.81 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 199' ' ' ALA . 52.0 tp -72.68 -50.3 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -53.36 -48.0 68.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -177.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -34.96 77.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -177.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 194' ' ' ASN . 49.1 t -76.23 -32.13 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -59.48 -39.18 82.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.722 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -56.3 -55.37 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -46.44 -55.48 7.37 Favored 'General case' 0 N--CA 1.513 2.709 0 O-C-N 121.119 -0.988 . . . . 0.0 110.874 174.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.772 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.1 mm-40 -50.07 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.403 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -48.73 -41.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -176.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.11 -49.5 30.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.6 m-70 -62.63 -37.96 88.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 0.729 . . . . 0.0 109.598 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.2 t -67.42 -33.44 75.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.9 mt -77.36 -36.75 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.63 -9.81 4.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 32.1 m-85 -122.52 170.5 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 210' ' ' PHE . 49.1 m170 -42.58 130.74 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.538 -168.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 88.2 p -87.64 176.62 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.08 148.85 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 61.9 p -101.23 -22.49 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.19 -12.2 58.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.67 159.89 32.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -83.78 -21.3 32.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 178.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.96 -21.32 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.507 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.7 t80 -54.43 133.06 62.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.06 62.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 133.87 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -53.87 151.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -156.9 123.76 5.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.6 t -116.18 175.59 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 227' ' ' THR . 20.6 tp -155.83 139.65 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 226' ' ' LEU . 71.1 p -34.69 -63.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.401 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.3 122.92 45.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -71.91 -18.09 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -174.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -6.32 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 229' ' ' LEU . 66.9 mtt-85 -106.41 -6.03 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -62.43 142.76 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -177.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -158.68 147.52 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.246 176.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.78 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 18.5 mt -67.44 122.41 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.4 p -61.86 171.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -31.8 69.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -56.99 -47.3 81.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.69 -50.45 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.678 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.9 mp -64.14 -37.42 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.27 -44.97 68.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.74 -53.14 4.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.49 -45.13 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 -174.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -26.57 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.8 m -72.73 -28.57 62.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.971 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 90' ' ' PRO . 8.5 mt -81.7 -17.7 47.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 130' ' ' LEU . 45.2 m-85 -143.12 -87.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 111.043 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.97 110.86 3.1 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 171.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 110.966 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.86 34.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.089 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -140.9 135.24 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.798 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -55.39 172.07 0.3 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 110.969 173.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 171.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.74 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 mt 67.04 98.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.264 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.17 16.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.978 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE3' HD23 ' A' ' 245' ' ' LEU . 15.4 ptpt 180.0 121.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.402 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 92.0 m95 -58.13 143.11 45.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.005 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -88.07 0.37 56.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.19 142.72 50.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -84.89 -33.76 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -74.24 88.93 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.573 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.96 156.43 16.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.83 152.28 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 174.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -146.05 170.94 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -165.44 143.5 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -101.41 115.36 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 174.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.02 -41.29 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -152.62 171.27 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -124.58 -178.49 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.19 143.19 27.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.974 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -48.86 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.6 157.43 33.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.95 164.91 32.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 110.958 171.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -60.57 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.16 -36.12 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.69 -46.23 86.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.356 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.47 -54.46 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.526 ' OD1' HD13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -51.14 -32.97 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.5 t -58.94 -45.3 90.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.83 -37.97 64.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 35.4 t -74.96 -56.43 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.48 -30.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 22.1 mttm -89.7 -48.9 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -175.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.6 -42.59 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 59.3 mt -60.43 -55.13 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.37 -34.93 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.709 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.72 -33.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.792 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 87.6 m95 -91.84 -31.5 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 108.079 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.43 -24.32 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.72 -19.3 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.579 HG23 HG21 ' A' ' 242' ' ' ILE . 10.5 m -129.57 17.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.3 p -144.65 159.78 49.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 170.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.57 20.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 174.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 77.1 mt -63.8 157.41 24.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -169.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 p -134.32 161.84 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -134.34 136.48 43.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -124.55 155.2 39.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.956 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.84 143.09 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.314 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.94 105.85 8.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -48.22 -31.27 5.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 111.069 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.31 148.98 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 172.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.02 -162.63 28.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.61 48.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.0 148.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -62.81 -51.55 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mt -101.71 92.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 11.9 mtp -92.66 86.75 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.99 137.1 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m -146.54 161.81 39.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.391 1.057 . . . . 0.0 109.967 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -119.25 149.72 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.75 144.08 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.16 166.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 43.97 -164.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -53.67 121.65 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -119.82 48.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.633 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.6 61.79 6.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.562 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.4 OUTLIER -174.53 177.24 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 0.716 . . . . 0.0 109.309 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.3 t80 -83.22 -4.32 58.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 -170.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.42 89.16 20.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 177.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.3 4.86 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 110.959 173.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.36 -154.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.474 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 157' ' ' PHE . 76.6 t -38.05 121.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.38 -39.74 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.68 143.29 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -130.11 164.67 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.599 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.59 169.28 24.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -173.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -144.8 144.18 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -48.29 171.51 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.562 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.2 m-20 -85.66 151.85 23.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.77 -37.56 3.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -68.7 158.64 33.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.342 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.66 124.36 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -100.85 123.1 44.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.568 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 202' ' ' GLU . 16.7 m-85 -102.69 170.46 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -96.65 132.32 42.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -24.57 14.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.8 50.22 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 186' ' ' TRP . 18.2 tp10 -162.35 143.62 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.97 154.18 42.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 184' ' ' GLU . 94.5 m95 -141.9 155.81 45.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.611 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.8 p -140.08 168.74 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.409 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -111.32 29.24 7.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.375 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.61 176.18 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.3 p -74.56 71.72 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.396 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 37.7 p -133.1 -54.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.42 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.611 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -110.58 -134.68 6.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.4 m -79.38 77.05 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -41.85 105.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.76 -55.98 27.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.457 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -47.3 -48.44 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -177.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 1.006 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.72 -38.16 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -178.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.78 -32.95 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -67.03 -45.39 77.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.988 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.83 -24.25 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.08 -58.72 3.12 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 121.079 -1.013 . . . . 0.0 110.898 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.15 -49.44 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 -179.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.42 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.4 OUTLIER -52.78 -38.11 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.13 71.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.7 m-70 -60.45 -38.85 85.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.741 . . . . 0.0 109.612 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 70.1 m -71.9 -30.92 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.87 -95.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -159.42 37.06 0.48 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.445 1.091 . . . . 0.0 110.949 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.02 178.11 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.616 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 13.5 m-85 -154.29 -63.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.957 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -151.25 131.04 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 23.3 m -96.33 172.38 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.06 -37.51 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.25 147.84 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.4 t -95.55 -21.95 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.34 -8.26 59.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.86 160.37 31.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.006 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -87.42 -13.46 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 175.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.452 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -83.66 -6.61 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 7.1 t80 -66.02 148.12 98.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.0 Cg_endo -75.03 1.64 7.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.43 1.753 . . . . 0.0 110.966 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.68 139.72 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -58.76 154.96 13.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 170.31 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.546 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.3 t -154.73 172.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.52 151.21 29.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 48.3 m -47.29 -51.93 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.27 122.6 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.99 -19.12 62.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -177.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.419 ' N ' HD23 ' A' ' 229' ' ' LEU . 17.2 p -61.89 -9.2 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.41 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -113.1 -6.88 13.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.68 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.6 t80 -52.75 153.0 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.2 156.05 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.792 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 26.5 mt -77.66 137.28 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.5 m -69.58 155.23 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -34.02 58.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -40.19 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.9 -50.39 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.71 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -58.12 -38.61 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.08 -44.72 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.384 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.88 -50.96 6.1 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.71 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.96 -21.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.256 -175.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -87.27 -44.31 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.0 p -52.51 -33.89 47.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.549 HD23 ' HE3' ' A' ' 91' ' ' LYS . 1.3 mt -83.68 -31.23 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 36.2 m-85 -133.7 -94.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.99 119.38 3.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.09 31.93 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.217 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.7 p -139.85 135.32 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.458 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.4 OUTLIER -59.66 170.8 0.97 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 175.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.19 -7.01 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.405 HG23 HD23 ' A' ' 245' ' ' LEU . 67.1 mt 66.58 106.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.798 . . . . 0.0 109.265 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.618 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.92 130.94 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 pttp 177.61 123.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -61.46 159.25 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -89.86 -4.11 57.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.216 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -133.89 160.2 38.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 p -96.23 -33.42 12.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.416 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 76.22 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.671 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.43 157.44 28.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 150.02 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -143.09 172.07 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -165.11 144.75 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.95 119.77 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -79.78 -39.8 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -162.4 173.43 14.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 -172.17 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 110.987 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.91 143.36 28.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.93 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.26 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 108' ' ' LEU . 17.8 mt -97.52 156.87 35.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.97 163.24 35.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 110.963 170.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.1 -59.03 5.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.86 -36.74 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.16 -45.96 89.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -176.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.51 -52.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.242 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.64 -34.65 59.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.2 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.49 -51.51 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -43.82 -35.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 13.6 mttp -82.84 -52.23 6.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -176.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.88 -42.83 69.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.95 -54.63 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.3 69.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -172.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.73 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -56.94 -32.47 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.0 m95 -87.93 -31.95 19.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.91 -25.96 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.35 -19.96 55.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.193 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.606 HG23 HG21 ' A' ' 242' ' ' ILE . 6.0 m -131.23 16.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.7 p -144.32 160.1 49.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 171.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.42 20.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 246' ' ' TYR . 81.5 mt -58.38 153.94 14.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -171.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -137.36 134.5 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.41 136.95 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.5 t -125.59 160.96 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.02 145.9 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.4 mt -126.68 139.27 53.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -98.01 -3.73 37.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.55 167.07 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.88 -168.46 54.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.41 1.068 . . . . 0.0 110.996 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.01 112.42 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 110.305 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.99 160.77 27.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.9 -35.48 80.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.21 84.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.08 88.58 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.53 142.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -151.73 164.41 37.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.9 m-85 -121.69 143.72 49.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 175.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.2 143.54 12.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.8 170.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 41.97 -160.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.15 141.68 58.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 27.5 p-80 -153.78 36.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -164.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 126.98 -90.98 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 2.4 t0 -71.47 -165.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.01 75.21 2.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.588 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.64 71.9 4.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.559 1.82 . . . . 0.0 111.014 -170.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.51 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 171.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.57 -156.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 0.815 . . . . 0.0 109.311 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.51 HG12 ' CE1' ' A' ' 157' ' ' PHE . 2.6 t -41.12 115.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.83 -40.22 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -167.12 142.52 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -130.55 160.27 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.19 166.44 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -119.35 160.24 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.941 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -66.02 177.31 0.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 169.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.7 m120 -88.26 169.32 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.02 -38.0 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 156.62 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.43 121.43 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 4.2 m170 -101.63 123.98 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.56 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 15.6 m-85 -101.89 162.8 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.9 135.33 35.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -23.2 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.399 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.78 49.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -161.51 150.98 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 9.1 tp-100 -76.05 155.06 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.7 m95 -143.86 154.55 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.652 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.0 p -138.86 172.6 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -104.02 -17.64 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.25 -177.07 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 229' ' ' LEU . 1.6 p -71.66 78.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.4 p -137.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.376 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.652 ' N ' HG21 ' A' ' 187' ' ' THR . . . -122.11 -132.97 4.19 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.7 m -80.94 76.21 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 0.802 . . . . 0.0 110.359 171.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 193' ' ' THR . 55.9 t-20 -38.79 107.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.12 -56.42 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -172.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 3.5 t80 -49.75 -46.23 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -52.74 -38.95 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 82.4 t -79.21 -35.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.03 79.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 1.063 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.5 -49.67 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -49.61 -53.12 25.79 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.068 -1.02 . . . . 0.0 110.762 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 7.9 mm-40 -52.93 -61.73 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.8 -39.84 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.2 -40.86 37.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 59.0 m-70 -66.96 -40.84 87.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 0.808 . . . . 0.0 109.605 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 21.5 m -64.26 -28.72 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.8 mt -81.34 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -163.43 32.66 0.28 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.0 111.011 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.45 ' HG ' HD12 ' A' ' 242' ' ' ILE . 12.5 mt -122.52 169.65 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.278 174.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.557 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 28.2 m-85 -149.37 -88.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -131.15 106.11 8.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 0.0 109.666 -172.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 18.1 m -74.81 171.92 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.042 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.35 18.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -60.57 147.96 39.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.0 t -97.91 -17.42 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.367 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.88 -4.85 57.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.17 173.42 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.063 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -97.49 -26.16 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 69.8 mmm -75.96 -12.11 60.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.502 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 12.5 t80 -55.93 144.34 58.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 176.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.502 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -75.05 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -169.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 137.89 32.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -53.88 157.67 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.27 167.24 28.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.652 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -157.57 179.02 9.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.425 ' O ' HG21 ' A' ' 190' ' ' THR . 13.8 tp -155.28 151.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 14.9 t -60.88 -26.23 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 106.62 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.2 -23.24 65.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -176.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.408 ' N ' HD13 ' A' ' 229' ' ' LEU . 12.9 t -66.23 -9.31 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -105.76 -5.22 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -46.97 155.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -178.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -157.76 157.09 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.73 HD11 ' CG1' ' A' ' 123' ' ' VAL . 71.0 mt -77.48 126.63 31.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 170.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 47.3 t -65.17 166.68 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -64.21 -26.83 68.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.7 -37.74 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.04 -48.96 21.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.692 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -64.16 -42.24 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -49.36 -47.89 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.72 -53.78 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.692 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -54.58 -28.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 0.717 . . . . 0.0 109.305 -173.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -83.8 -35.28 24.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 25.1 p -62.73 -26.79 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -86.41 -20.67 27.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 130' ' ' LEU . 31.1 m-85 -147.93 -88.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 111.003 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.09 118.37 2.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 166.98 27.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.94 30.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.971 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 179.067 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -127.38 133.77 49.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.85 173.29 1.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 175.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.816 . . . . 0.0 111.007 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.18 4.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -173.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 mt 65.72 102.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.99 11.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.345 1.708 . . . . 0.0 110.947 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 174.41 123.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.76 155.28 23.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -88.65 -3.97 58.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -125.89 150.53 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 p -83.65 -38.33 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 110.388 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 108.98 17.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.616 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.17 166.2 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.384 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 151.12 50.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.09 172.14 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -162.41 145.2 11.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.68 116.6 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.06 -40.05 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -159.25 171.57 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -124.61 -171.6 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.86 143.31 28.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -176.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.97 65.6 6.03 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.002 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -160.34 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.78 159.25 29.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.11 168.09 25.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 171.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -59.0 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -38.21 27.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.13 88.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.19 -51.43 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -33.54 61.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -61.84 -42.42 99.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.979 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.09 -39.3 71.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.39 1.056 . . . . 0.0 109.279 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.69 -51.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -45.68 -30.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 5.9 mtpm? -84.05 -59.41 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.4 -51.81 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -69.33 -24.53 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -172.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.599 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -65.99 -34.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.709 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.1 m95 -84.83 -31.93 23.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 108.044 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.8 -24.51 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -19.19 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 13.6 m -127.99 15.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -172.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.7 p -147.64 161.63 34.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.473 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 246' ' ' TYR . 82.3 mt -64.31 155.32 32.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -170.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.8 p -131.76 167.33 19.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 171.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -139.08 152.56 47.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.0 m -145.45 152.33 39.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -98.99 151.85 20.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 73.8 mt -129.7 148.27 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -105.59 -5.23 20.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -154.99 171.06 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.99 -158.46 53.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.58 140.38 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.282 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -108.74 163.55 13.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.9 -40.36 97.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.17 88.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.96 88.71 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.67 143.88 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -152.72 163.42 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.076 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -117.83 151.94 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.045 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -160.12 166.37 29.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.2 m -134.6 -171.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 170.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.2 ptt85 37.42 -158.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.264 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.2 tm-20 -68.19 100.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 172.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.461 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 38.2 p-80 -102.26 43.31 1.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 76.18 41.58 26.19 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.5 OUTLIER -166.36 177.41 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.0 t80 -89.81 -2.42 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -167.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -112.24 96.86 37.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 176.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.6 m-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.3 -163.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 0.799 . . . . 0.0 109.291 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.1 t -34.82 116.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 171.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.22 -37.29 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 175.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -174.99 141.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -124.77 164.45 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.61 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.54 171.73 19.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -142.14 158.66 43.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -176.238 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.879 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.67 -179.39 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.879 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.534 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -85.6 155.98 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.53 -37.68 2.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.77 164.11 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.314 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -137.68 116.21 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 25.3 m170 -90.31 124.42 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.558 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.86 150.08 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -82.87 111.2 18.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 109.322 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -25.25 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.72 51.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.84 152.29 11.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.228 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 26.8 tt0 -74.59 155.89 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.328 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.403 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 92.6 m95 -141.85 155.93 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.024 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.602 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.8 p -139.74 156.54 46.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 175.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -92.21 -20.92 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -115.64 -156.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.6 p -104.28 66.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.1 t -134.21 15.28 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -174.04 -139.17 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.4 m -85.95 90.24 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.43 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.02 109.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.58 -61.1 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.44 -50.25 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.69 -33.61 68.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 0.0 109.252 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.21 -33.47 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 196' ' ' PHE . . . -57.47 -45.89 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 1.04 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.19 -39.21 89.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.327 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.9 -54.72 41.19 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 121.212 -0.93 . . . . 0.0 110.942 172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -59.39 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 175.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.34 -44.93 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -47.09 27.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.1 m-70 -65.39 -41.43 93.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.767 . . . . 0.0 109.622 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.5 m -60.91 -36.72 80.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.67 -72.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.66 48.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 209' ' ' LEU . 13.4 mt -124.25 165.41 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 0.815 . . . . 0.0 109.281 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 211' ' ' HIS . 57.2 m-85 -155.71 164.73 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.972 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 210' ' ' PHE . 41.0 m170 -42.34 129.7 3.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.563 -169.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 m -100.4 170.36 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.47 -34.59 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.48 146.04 54.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -95.65 -14.62 23.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.14 -11.38 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.637 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.04 147.71 26.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.04 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -81.06 -8.57 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 178.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.534 ' N ' HD23 ' A' ' 218' ' ' LEU . 8.1 tpp -82.48 -18.44 41.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 54.6 t80 -51.67 140.84 26.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.931 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.09 52.65 3.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 131.44 2.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 172.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -52.05 152.83 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -145.52 167.54 22.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 0.0 109.535 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.5 m -159.96 174.84 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.972 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.1 tp -147.99 149.96 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 9.7 t -52.3 -33.19 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.83 97.86 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.797 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -66.78 -24.63 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -173.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.403 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -63.24 -21.63 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -177.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -100.87 -4.48 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.575 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.1 t80 -42.42 154.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.942 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 157.59 34.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 176.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.709 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.8 mt -81.2 137.31 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.637 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 89.7 p -69.93 164.88 22.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -30.35 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -177.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.94 -43.39 86.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.43 -43.55 69.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.614 1.196 . . . . 0.0 109.345 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -176.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -51.6 -44.36 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.94 -51.52 5.8 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.52 -26.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 -174.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.28 -40.13 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 m -55.54 -28.86 57.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 110.066 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.73 -32.73 23.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.459 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.0 m-85 -135.14 -91.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.96 119.74 4.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.89 25.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.98 32.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.167 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.2 p -117.47 135.76 53.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.84 171.44 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 170.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.56 22.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp 57.25 100.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.6 Cg_endo -74.9 129.87 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.06 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 pttp 179.0 123.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -74.9 151.58 38.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.182 . . . . 0.0 108.074 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.3 -3.99 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -174.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -135.32 150.58 50.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 p -87.11 -32.22 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -74.25 74.52 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.5 mt -70.96 158.99 35.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.23 150.1 51.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 110.41 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -144.4 174.96 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -162.53 147.71 12.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -105.98 116.95 50.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.27 -40.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -157.31 171.19 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -124.33 -170.14 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -112.81 143.25 28.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.438 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.98 66.79 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 111.027 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -161.67 -48.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.2 mt -102.64 159.42 29.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.02 164.73 32.74 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.527 1.804 . . . . 0.0 111.056 171.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -60.52 -61.93 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -35.03 61.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 -174.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.24 -45.77 86.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.354 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.16 -54.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.23 -37.0 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.55 -41.6 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.35 -39.14 72.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 5.1 t -74.85 -55.89 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -46.3 -28.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.355 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 115' ' ' SER . 29.3 mtpt -85.94 -52.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.69 -41.52 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 41.9 mt -62.16 -52.39 64.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -59.01 -36.58 75.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.2 t -56.75 -40.35 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.812 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.6 m95 -86.7 -30.76 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 107.962 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.52 -23.34 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.404 ' OE1' ' NH2' ' A' ' 233' ' ' ARG . 3.0 mt-10 -78.66 -17.68 55.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.558 HG23 HG21 ' A' ' 242' ' ' ILE . 14.4 m -127.88 18.81 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -171.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.3 p -148.79 161.53 32.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.402 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.08 20.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -57.94 155.54 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -171.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -137.26 133.9 35.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.98 154.88 19.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.0 m -152.07 152.39 32.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -100.4 153.85 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.4 mt -127.47 113.03 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -57.56 -24.64 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.99 165.43 36.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.06 -177.61 32.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.93 105.76 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 110.252 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.2 162.37 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.87 -39.56 94.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.9 mt -117.24 86.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.5 89.92 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.67 130.1 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.8 p -149.75 124.85 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.067 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.491 ' CE1' ' CD1' ' A' ' 180' ' ' PHE . 5.4 m-30 -86.27 155.36 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.94 142.34 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.435 HG23 ' HG2' ' A' ' 149' ' ' ARG . 1.3 m -98.27 167.73 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 172.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.435 ' HG2' HG23 ' A' ' 148' ' ' VAL . 2.1 ptm180 41.76 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.222 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -52.49 137.46 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.757 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 41.7 p-80 -151.58 36.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.543 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.558 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 94.77 -175.64 34.21 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 1.2 t70 42.81 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.384 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.17 69.18 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.757 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -150.05 69.67 9.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 174.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.556 1.819 . . . . 0.0 111.05 -172.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 172.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 44.22 -148.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -176.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.54 HG12 ' CE1' ' A' ' 157' ' ' PHE . 55.9 t -35.05 117.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 172.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.94 -38.81 11.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 174.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.23 141.87 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -131.62 169.28 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.632 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.96 151.48 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -173.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.15 147.37 37.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.72 177.22 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.829 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.19 164.16 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.48 -10.46 50.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.7 174.22 11.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.86 121.76 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -112.63 124.77 53.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.529 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.491 ' CD1' ' CE1' ' A' ' 146' ' ' PHE . 17.6 m-85 -102.5 172.9 6.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 171.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.74 108.15 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.51 -25.64 57.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.295 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -86.29 52.21 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -162.44 147.85 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.48 154.28 41.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.278 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -144.18 156.15 44.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.6 p -140.78 178.26 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -116.22 21.15 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.8 179.64 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.9 p -77.2 67.44 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 39.1 p -127.46 -46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.58 ' N ' HG21 ' A' ' 187' ' ' THR . . . -116.2 -131.01 4.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 29.8 m -90.06 95.94 10.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 170.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -52.91 108.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.02 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.23 -49.14 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -177.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.59 -36.22 75.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.06 -28.27 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -71.4 -38.62 71.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.243 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.834 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.63 -22.75 66.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.13 -59.3 2.8 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 121.097 -1.002 . . . . 0.0 110.825 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -53.47 -52.09 60.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.459 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -52.35 -38.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.64 -37.93 69.94 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 65.7 m-70 -66.93 -36.64 82.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.585 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.6 t -70.32 -35.1 73.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 242' ' ' ILE . 60.2 mt -73.06 -54.68 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . 0.698 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 141.18 55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 110.914 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 1.055 HD21 HD12 ' A' ' 242' ' ' ILE . 0.0 OUTLIER -150.97 149.99 30.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 166.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 211' ' ' HIS . 39.1 m-85 -123.86 -176.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 210' ' ' PHE . 65.1 m170 -40.66 138.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.618 -171.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.9 m -108.31 177.48 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 109.987 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.61 -47.99 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -54.8 148.49 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.212 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 11.6 t -94.34 -29.83 14.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.02 -17.72 62.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.14 137.32 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.067 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -72.91 -13.69 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.327 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.0 tpp -83.51 -7.18 59.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 37.4 t80 -63.93 137.56 97.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -75.0 55.94 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -167.05 128.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -75.53 144.63 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -169.83 122.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 75.6 m -93.42 134.67 35.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.19 148.84 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.2 t -48.3 -36.71 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -137.13 106.22 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.33 -24.32 67.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -175.308 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.1 t -64.31 -14.61 57.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -103.33 -5.52 22.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 0.2 OUTLIER -45.27 147.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -177.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.404 ' NH2' ' OE1' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -159.71 146.16 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 176.105 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.748 HD11 ' CG1' ' A' ' 123' ' ' VAL . 26.3 mt -68.77 139.01 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 3.5 m -77.73 158.62 29.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 110.059 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -31.46 44.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.338 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.12 -42.78 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.386 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.82 -48.74 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.679 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.92 -36.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -175.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -44.62 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.83 -51.11 5.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 1.055 HD12 HD21 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -59.07 -23.23 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -174.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -91.94 -34.61 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.2 m -57.06 -30.7 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 90' ' ' PRO . 35.1 mt -88.02 -22.27 24.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -142.43 -93.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 111.105 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.21 120.29 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.15 31.87 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 179.182 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -125.53 134.24 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -64.47 171.69 2.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 175.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.93 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.85 -11.78 4.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.432 HG22 ' HG2' ' A' ' 91' ' ' LYS . 34.1 mt 65.76 102.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.412 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.94 127.82 11.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.071 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.432 ' HG2' HG22 ' A' ' 89' ' ' ILE . 6.8 ptpt 172.47 123.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.424 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 98.4 m95 -69.01 150.56 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 107.962 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.74 -4.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.7 154.11 38.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.8 p -94.62 -32.3 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -74.4 80.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.04 161.63 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 151.4 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -144.36 175.17 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.053 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -162.77 146.24 11.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.1 114.94 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.417 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.1 t -78.42 -39.83 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.68 173.28 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.96 -176.64 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -175.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 145.25 30.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 63.04 6.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.84 -48.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.07 157.57 33.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.482 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.06 165.16 31.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 169.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -60.72 -62.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.53 -34.11 57.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -174.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.6 -46.17 83.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 109.243 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.59 -53.73 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -37.95 34.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -54.4 -43.49 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.84 66.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -79.09 -51.24 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.75 -25.53 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' SER . 40.9 mttm -91.55 -52.45 4.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.28 -47.77 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.269 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.66 -52.77 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.87 -27.43 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -63.8 -35.32 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.832 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.1 m95 -87.02 -28.43 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.078 -175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -51.95 -26.07 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.33 -20.14 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.287 -171.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 242' ' ' ILE . 12.7 m -126.14 14.05 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -171.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' VAL . 14.1 p -149.8 160.31 34.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 168.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.0 mt -57.79 153.88 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -171.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -138.32 134.22 33.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.35 129.86 55.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -172.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.9 t -111.99 162.86 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 142.31 34.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.8 112.88 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -70.8 -14.13 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -161.84 166.27 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 99.02 -178.53 30.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -97.53 99.88 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.367 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.38 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.73 -38.92 92.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.94 89.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 3.6 mtt -90.53 88.79 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.96 137.15 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.7 p -148.93 169.68 20.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 110.037 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.3 m-85 -124.61 152.32 43.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 176.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.85 142.75 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.3 m -99.9 164.11 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 173.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' VAL . 4.9 ptt85 42.27 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.16 129.89 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.65 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 46.7 p-80 -139.06 35.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.59 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 95.92 -173.5 30.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 0.8 OUTLIER 43.62 -157.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 175.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.63 71.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.65 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.88 72.6 5.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 176.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.65 -153.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 178.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.634 HG12 ' CE1' ' A' ' 157' ' ' PHE . 77.9 t -37.46 122.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.84 -39.51 8.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.483 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -164.44 142.53 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -132.33 167.04 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.66 153.62 28.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -172.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -112.91 153.31 28.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.836 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -57.49 178.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 170.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.836 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -87.65 145.11 26.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.49 27.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.581 1.175 . . . . 0.0 110.999 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.99 159.83 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.03 122.15 27.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.288 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -106.26 123.6 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 25.4 m-85 -102.91 170.85 7.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 111.037 174.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -93.29 132.51 37.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.56 -21.89 15.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -88.14 51.41 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.56 152.65 16.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -72.7 155.11 40.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -144.95 156.75 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 107.945 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.592 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.3 p -140.66 174.68 10.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -115.51 24.33 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -169.08 -176.39 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.3 p -82.24 90.42 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.5 t -159.52 -44.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.403 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.592 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -112.54 -132.64 5.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 67.9 m -88.61 83.42 6.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.411 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -44.57 107.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.215 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.36 -54.34 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -172.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 229' ' ' LEU . 0.4 OUTLIER -50.51 -46.68 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -176.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.982 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.39 -38.43 63.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 45.0 t -79.4 -30.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.8 -45.65 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.995 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.77 -23.53 67.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -76.19 -59.16 2.88 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.123 -0.986 . . . . 0.0 110.789 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.0 OUTLIER -53.9 -50.79 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.3 OUTLIER -54.37 -39.83 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -178.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.97 -43.88 55.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 72.1 m-70 -63.15 -37.04 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.604 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.7 t -68.45 -43.31 77.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.107 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.47 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.92 50.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.929 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.449 HD12 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.12 165.32 19.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.506 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.7 m-85 -157.05 160.42 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 210' ' ' PHE . 57.1 m170 -35.82 118.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.562 -169.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.9 m -77.34 172.46 13.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.37 27.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -61.99 149.07 41.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -9.73 19.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.72 -4.86 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.74 152.9 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.995 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -76.48 -12.4 60.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -13.0 59.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.963 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.4 t80 -66.82 139.85 95.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.95 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.8 OUTLIER -166.72 132.78 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 176.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.66 149.42 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -135.95 172.51 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 51.0 m -163.53 168.58 19.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.2 tp -154.59 155.49 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -37.15 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 110.39 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 129.73 13.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 0.0 109.281 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -81.59 -19.43 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -175.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.425 ' N ' HD23 ' A' ' 229' ' ' LEU . 5.9 t -61.49 -9.29 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -115.78 -6.09 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.722 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.2 t80 -48.51 154.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -156.72 156.45 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.832 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 5.1 mt -82.82 136.58 34.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.207 175.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.8 m -61.93 159.03 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.26 -27.46 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -57.7 -41.72 82.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.41 -45.0 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.637 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -66.81 -37.73 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -44.78 63.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.7 -56.2 3.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.901 -175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.3 OUTLIER -54.61 -46.21 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -175.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -26.11 60.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 10.7 t -71.72 -33.1 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 90' ' ' PRO . 7.0 mt -78.33 -16.7 57.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.8 m-85 -143.34 -89.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.11 115.57 3.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.567 1.825 . . . . 0.0 111.022 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.134 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.6 p -130.76 -109.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.98 168.42 0.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 111.059 -178.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.95 85.28 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.407 1.74 . . . . 0.0 111.014 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.26 -6.49 6.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.8 mt 67.01 116.51 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.599 0.823 . . . . 0.0 109.264 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.619 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.99 128.13 11.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 174.8 123.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.33 159.2 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 107.968 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.1 -3.9 58.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -134.1 156.74 47.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 p -90.81 -33.99 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.05 83.01 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.4 mt -83.84 158.98 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.19 152.5 44.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -145.31 169.52 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -167.09 140.76 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.55 113.7 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 174.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.68 -39.97 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.05 169.57 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -121.76 -179.26 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -107.43 141.88 23.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.92 69.02 5.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -163.56 -48.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 108' ' ' LEU . 18.0 mt -99.37 157.53 33.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.7 Cg_endo -74.89 163.91 34.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.71 -57.86 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -173.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 115' ' ' SER . 4.5 t70 -51.23 -39.02 55.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.5 -46.11 91.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -175.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.13 -53.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -52.56 -33.69 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -64.91 -43.44 92.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.013 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.47 -33.14 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.37 -51.81 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.67 -28.59 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 115' ' ' SER . 26.5 mttp -91.95 -47.66 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -175.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -57.4 -49.19 77.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.88 -53.86 49.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -61.38 -33.67 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.355 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.98 -32.38 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -178.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.7 m95 -90.57 -31.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.99 -24.78 17.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.02 -18.57 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 242' ' ' ILE . 6.8 m -132.79 17.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -173.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.0 p -145.71 159.05 48.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 171.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.78 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.8 mt -57.47 152.22 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 -171.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.79 134.98 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 173.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.9 134.54 51.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 110.976 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 m -123.25 144.78 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.09 153.55 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.3 mt -132.82 146.75 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -98.64 -9.09 25.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -155.5 174.65 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.22 52.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.34 104.76 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.268 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.37 158.35 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.72 -36.95 85.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.3 mt -117.14 85.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.85 91.15 7.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.3 149.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.9 t -155.5 161.44 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -117.88 134.27 55.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -147.65 167.02 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -174.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.58 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -132.21 -177.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 165.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 148' ' ' VAL . 9.5 ptm180 36.52 -157.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 177.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.455 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 0.8 OUTLIER -65.74 102.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 176.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 22.3 p-80 -105.14 -5.97 20.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.652 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.12 -87.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.488 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.28 -166.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.355 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -99.02 77.07 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.61 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.77 64.16 2.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -176.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.74 22.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -169.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 10.2 m-30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 44.27 -148.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 0.812 . . . . 0.0 109.314 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.3 t -33.62 109.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 173.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.0 -34.9 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.62 143.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.482 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.0 OUTLIER -118.93 167.2 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 176.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.83 172.14 18.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -127.64 167.32 16.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.76 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.3 173.95 2.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.76 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.062 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.13 165.13 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.9 -38.14 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 162.52 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.05 112.02 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -97.15 123.97 41.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -97.41 151.6 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 9.6 t70 -78.14 103.29 7.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.62 -24.78 56.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.12 50.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -168.71 147.55 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 52.9 tp60 -71.2 153.68 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.503 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 94.8 m95 -135.46 157.96 45.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.07 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.639 HG21 ' HA3' ' A' ' 192' ' ' GLY . 12.7 p -139.92 172.72 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -115.98 27.84 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -171.38 179.38 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.3 p -79.54 86.76 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.38 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.8 t -155.99 -42.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.376 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.639 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.97 -139.06 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 173.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 69.1 m -81.09 80.02 7.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.449 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.5 108.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.06 -55.69 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 -172.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.432 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -50.01 -42.59 49.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -174.546 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -56.74 -38.24 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.64 -37.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.44 77.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.894 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -64.21 -30.0 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.45 -53.03 9.35 Favored 'General case' 0 N--CA 1.514 2.751 0 O-C-N 121.153 -0.967 . . . . 0.0 110.851 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -51.7 52.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.91 -40.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.25 37.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 73.2 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.576 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.7 m -63.65 -29.7 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.936 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.16 -98.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -158.35 33.16 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.524 HD12 ' CH2' ' A' ' 124' ' ' TRP . 15.4 mt -120.58 173.62 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.605 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 15.7 m-85 -152.89 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 40.7 m170 -148.35 126.49 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -174.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 63.1 p -90.92 176.65 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.77 12.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.25 147.43 51.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 7.1 t -95.34 -15.84 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.419 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.14 -16.07 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -78.64 155.88 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -82.75 -13.58 56.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.491 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.9 tpt -81.92 -8.46 59.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.996 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.482 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 38.0 t80 -72.38 144.77 87.14 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.046 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.96 59.78 5.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -167.36 134.48 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -75.3 151.72 38.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.06 124.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 58.4 m -97.26 134.92 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 tp -86.34 155.09 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 12.0 t -54.99 -28.82 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.428 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . 0.424 ' OD2' ' NH1' ' A' ' 231' ' ' ARG . 0.0 OUTLIER -148.66 131.55 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 176.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -104.39 -19.18 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -175.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.426 ' N ' HD23 ' A' ' 229' ' ' LEU . 8.0 t -60.94 -11.49 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . 0.424 ' NH1' ' OD2' ' A' ' 228' ' ' ASP . 0.1 OUTLIER -121.54 -5.54 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.716 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -38.52 149.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -176.033 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -153.09 150.02 28.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.6 mt -71.69 139.58 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.474 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 43.6 m -69.31 156.94 37.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -33.7 54.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -52.39 -43.09 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.6 -44.48 57.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.6 -35.92 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -50.47 58.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -50.84 6.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.43 -28.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 -174.519 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -88.17 -35.33 17.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.1 t -57.94 -30.68 66.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -91.26 -15.91 28.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.91 -89.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.07 122.29 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.571 1.827 . . . . 0.0 110.976 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.212 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -133.95 134.96 43.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.2 OUTLIER -60.56 170.29 1.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 176.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 96.74 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 -8.77 6.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.421 1.075 . . . . 0.0 111.014 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 58.9 mt 67.13 106.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.723 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.95 129.72 12.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 pttp 176.97 124.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -67.94 155.56 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -86.08 -3.33 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' CD ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.45 150.25 50.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -178.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 p -87.57 -30.37 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.601 1.188 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -76.52 92.39 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.612 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' CD ' ' A' ' 94' ' ' LYS . 51.2 mt -92.28 147.47 22.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.71 149.38 49.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 117' ' ' VAL . 39.1 p90 -143.98 170.49 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.7 ttt-85 -165.51 138.84 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -99.62 115.99 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.34 -39.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 -170.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -141.12 167.22 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.72 -177.85 4.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.53 145.02 32.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -176.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 67.61 5.94 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.32 -47.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.52 158.56 31.55 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 168.7 24.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 168.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -61.87 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -170.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -28.27 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.496 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.99 -43.12 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.47 -55.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.96 -34.1 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.89 -43.97 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.48 -34.46 64.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 99' ' ' TYR . 26.8 t -80.28 -49.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.8 -29.67 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 7.3 mttp -92.86 -49.36 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -174.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.71 -47.12 74.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD22 ' CE1' ' A' ' 132' ' ' PHE . 89.1 mt -57.07 -53.94 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.87 74.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.71 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -53.37 -32.68 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.785 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.5 m95 -91.29 -31.52 16.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 108.032 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.57 -24.76 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.58 -18.88 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.556 HG23 HG21 ' A' ' 242' ' ' ILE . 11.2 m -129.52 16.5 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 -173.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 49.4 p -146.48 160.79 40.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -8.91 20.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.458 HD21 ' CE1' ' A' ' 246' ' ' TYR . 78.4 mt -57.11 155.94 7.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -131.06 159.11 38.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 121' ' ' LEU . 90.7 m-85 -136.8 142.3 42.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 111.019 -174.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.5 m -138.18 146.97 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.59 147.55 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.11 129.46 43.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -87.73 -10.3 51.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -159.73 170.85 20.63 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.16 174.9 49.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.67 101.09 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.97 164.0 27.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.51 -38.19 90.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.377 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 92.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.223 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 mtt -91.64 85.2 5.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.78 122.42 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 m -143.32 126.71 16.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.5 m-30 -84.57 164.16 18.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.973 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.7 143.47 5.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.4 m -101.92 152.5 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 53.33 -176.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.5 122.16 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -122.02 11.18 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 -171.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.6 64.43 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD2' ' CE1' ' A' ' 155' ' ' TYR . 19.0 t0 -174.81 -179.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -65.61 -19.29 65.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -114.58 96.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 136.13 19.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.012 172.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.41 -153.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -36.43 118.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 175.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -39.74 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.31 142.51 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.455 ' NE2' ' HB2' ' A' ' 179' ' ' HIS . 0.8 OUTLIER -125.03 159.85 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.574 177.164 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.16 154.94 30.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -131.49 152.35 50.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 -168.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.706 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.28 172.54 0.74 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 173.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.519 1.8 . . . . 0.0 111.049 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.44 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.91 165.53 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.64 -36.58 3.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.69 168.77 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.84 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.455 ' HB2' ' NE2' ' A' ' 166' ' ' HIS . 19.8 m170 -112.69 137.13 51.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 0.0 109.615 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.507 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.0 m-85 -103.43 177.16 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 170.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -92.98 104.69 16.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.95 -23.11 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.34 49.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.25 151.28 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.44 154.28 38.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -143.04 154.79 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' HA3' ' A' ' 192' ' ' GLY . 17.1 p -137.88 170.63 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -110.09 18.01 20.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.87 176.48 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.1 p -73.95 74.16 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -135.98 -54.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.461 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -107.62 -131.91 6.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 176.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 77.3 m -85.12 82.53 8.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.417 169.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -43.66 107.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.77 -54.01 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 -173.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -50.74 -46.38 59.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 111.07 -176.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 218' ' ' LEU . 0.6 OUTLIER -55.77 -37.55 68.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 -31.48 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -69.6 -46.95 65.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.68 -23.03 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.264 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -75.79 -60.7 2.2 Favored 'General case' 0 N--CA 1.514 2.744 0 O-C-N 121.176 -0.953 . . . . 0.0 110.826 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.2 pp20? -53.39 -50.43 65.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.297 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.43 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -52.63 -39.15 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.488 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.65 -46.37 47.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.88 -39.43 93.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.804 . . . . 0.0 109.591 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 15.3 t -61.0 -39.58 90.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.76 -67.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.247 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 162.43 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.473 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.7 mt -119.53 170.11 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 211' ' ' HIS . 78.0 m-85 -158.36 162.41 37.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -38.95 118.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 4.6 m -74.76 -92.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.12 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.21 149.3 33.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.37 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.2 t -89.05 -19.29 25.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.41 -16.72 57.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.252 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -82.66 139.34 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.3 tpt -71.75 -13.92 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.1 t80 -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.99 61.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.36 132.77 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 178.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -69.54 145.4 52.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -168.06 123.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.581 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 39.4 m -105.8 167.07 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 23.9 tp -125.13 155.34 40.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.5 p -46.23 -45.05 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.7 122.45 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.373 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.7 -20.05 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -176.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 229' ' ' LEU . 11.5 t -61.75 -8.32 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -112.3 -6.47 14.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.387 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.669 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 4.5 t80 -54.6 153.13 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -157.96 157.48 33.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.785 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.0 mt -84.11 134.72 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 173.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 49.0 m -63.93 156.8 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -54.76 -28.2 46.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.44 -42.93 74.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -74.17 -46.52 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.693 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.36 -41.32 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -50.85 -45.98 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.21 -52.78 5.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -58.52 -26.26 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -174.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -87.31 -35.92 18.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.233 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 46.5 t -59.57 -26.11 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.4 mt -89.92 -19.49 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.458 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.5 m-85 -147.39 -90.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.74 118.51 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.97 28.1 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.05 31.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.0 p -134.41 135.29 42.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.32 170.92 0.84 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.39 -8.35 5.93 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HD23 ' A' ' 245' ' ' LEU . 67.6 mt 66.84 105.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.24 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.703 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.794 . . . . 0.0 111.013 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.4 pttt 177.53 123.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -64.58 151.26 45.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.27 -3.67 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.82 155.44 50.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.077 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -88.92 -30.4 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -74.09 84.17 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.566 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 130' ' ' LEU . 47.4 mt -84.65 150.11 25.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -177.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.13 148.12 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.373 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -142.45 168.07 20.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 111.065 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -167.58 133.6 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -93.55 117.94 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.25 -41.88 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -156.03 169.72 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.51 -171.85 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 111.03 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -115.52 142.95 29.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 -177.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.02 67.72 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -162.85 -47.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' A' ' 187' ' ' THR . 22.9 mt -103.43 159.72 28.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 165.54 31.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -64.12 -57.93 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.18 -35.69 62.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.12 -45.91 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.32 -53.35 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.98 -33.51 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.72 -33.14 54.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -43.15 -34.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 196' ' ' PHE . 11.0 mttp -90.39 -52.95 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.52 -42.99 67.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.06 -53.51 57.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.38 -35.69 74.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.583 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -30.6 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.749 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 96.2 m95 -93.08 -31.01 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 107.93 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.89 -23.68 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.2 -18.58 60.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.563 HG23 HG21 ' A' ' 242' ' ' ILE . 8.3 m -130.78 17.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -172.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.5 p -145.65 159.57 47.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.385 170.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.32 21.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 246' ' ' TYR . 82.2 mt -56.1 155.4 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -171.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.9 p -134.12 133.94 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.39 132.11 54.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -171.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -124.95 163.1 23.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -114.26 153.09 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -131.93 130.39 41.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -81.83 -9.07 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -152.09 173.22 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.31 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.14 -168.37 54.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -109.98 108.02 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.95 159.69 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.587 1.18 . . . . 0.0 109.364 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.68 -39.81 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -177.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.9 mt -115.94 83.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.19 86.2 6.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.27 148.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -155.38 157.15 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.946 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -114.93 129.37 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -141.66 171.61 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -174.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 149' ' ' ARG . 5.4 m -142.66 179.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.626 ' HG3' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 32.75 -144.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 175.118 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.8 94.57 0.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.648 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 35.4 p-80 -105.18 44.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.639 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 65.8 62.62 4.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 8.5 p-10 -172.37 -174.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -172.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.7 t80 -112.45 -4.51 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.055 . . . . 0.0 111.001 -176.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.62 86.68 15.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.4 Cg_endo -75.05 146.6 32.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.6 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 11.1 m-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 44.92 -149.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 162' ' ' ASN . 10.6 t -34.09 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -31.26 13.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 173.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -176.28 142.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.564 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.3 p-80 -117.53 163.85 15.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -160.26 168.94 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 163.55 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.54 177.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 173.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.08 0 O-C-N 124.568 1.825 . . . . 0.0 110.983 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.08 164.7 15.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.05 -37.36 2.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -74.3 148.81 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -121.83 115.07 21.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -92.89 121.99 34.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 29.8 m-85 -90.16 148.92 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 171.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.8 t0 -82.18 101.32 10.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -23.35 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -78.82 48.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -165.5 158.19 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 45.7 tt0 -74.18 157.04 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 82.2 m95 -146.83 156.41 43.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.038 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.576 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.3 p -139.74 175.83 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 172.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -109.42 18.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -163.4 -166.34 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 226' ' ' LEU . 19.9 p -89.09 63.16 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 -176.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.2 t -137.58 17.54 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.473 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.576 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -179.72 -144.48 5.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 36.8 m -81.55 80.8 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 0.723 . . . . 0.0 110.397 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -49.21 115.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.51 -52.25 41.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.79 ' CD1' HD11 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -51.56 -35.28 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 -176.072 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.1 OUTLIER -81.66 -31.06 32.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.236 -172.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.8 t -76.11 -33.68 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.27 84.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -53.35 -50.9 64.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -50.31 -58.71 5.04 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 121.136 -0.977 . . . . 0.0 110.872 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.466 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.4 mt-10 -48.18 -60.51 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.239 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.44 -43.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -46.81 -51.17 13.5 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 92.7 m-70 -62.67 -42.13 99.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.63 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 14.8 t -58.26 -38.59 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.14 -73.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.211 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.04 41.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.528 HD12 ' CH2' ' A' ' 124' ' ' TRP . 9.1 mt -114.0 168.84 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 58.4 m-85 -159.77 165.79 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -45.79 122.8 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 77.4 p -82.74 167.04 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.59 -26.03 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.2 147.09 46.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -100.91 -12.47 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.57 -24.54 56.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.15 161.46 26.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.65 -9.65 46.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.33 178.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.481 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.7 tpt -74.44 -27.03 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.6 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 65.7 t80 -46.93 140.55 6.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.6 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.94 60.64 5.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.569 1.826 . . . . 0.0 111.021 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -167.36 133.72 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 177.646 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -50.27 151.01 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -142.08 123.8 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.581 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.16 150.32 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 190' ' ' THR . 44.0 tp -140.36 137.62 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -40.71 -61.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.66 100.22 10.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -66.34 -19.49 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -177.069 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -5.88 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 229' ' ' LEU . 79.2 mtt180 -109.89 -5.49 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.533 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -64.5 143.41 57.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -157.22 156.89 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.749 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 16.2 mt -73.78 130.15 39.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 68.0 m -68.2 160.31 29.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.981 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -53.69 -33.29 54.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.57 -42.03 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -72.25 -42.04 66.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.57 -36.81 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -177.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -44.28 73.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.21 -54.99 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.431 1.082 . . . . 0.0 110.981 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.41 -46.21 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -175.159 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.12 -26.15 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.2 t -72.0 -30.82 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.581 1.176 . . . . 0.0 110.055 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 90' ' ' PRO . 3.6 mt -81.2 -18.4 46.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 130' ' ' LEU . 41.1 m-85 -139.27 -87.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.08 109.62 2.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.55 26.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.426 1.751 . . . . 0.0 110.998 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 165.43 31.38 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.094 179.099 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 245' ' ' LEU . 76.5 p -125.1 135.46 52.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.668 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -76.25 176.07 3.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.917 174.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.96 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.71 -13.76 5.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.3 mt 62.15 105.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 126.43 9.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.9 ptpt 170.25 123.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -67.21 167.5 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.16 . . . . 0.0 107.959 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -95.67 -2.58 47.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -129.56 151.86 49.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 p -86.52 -39.43 16.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -77.87 91.44 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.07 . . . . 0.0 109.591 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.46 167.1 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.01 149.92 52.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -141.81 173.75 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -166.15 140.31 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.82 115.87 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.31 -40.53 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -159.75 172.93 16.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.29 -175.22 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.58 144.04 28.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 -177.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -74.97 68.87 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -164.56 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -97.53 158.41 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.04 163.84 34.46 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 170.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.06 -58.5 7.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 -174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 -36.47 53.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.66 -46.21 89.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.73 -52.65 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.37 -36.02 52.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -63.68 -40.6 97.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -177.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.61 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 7.8 t -72.21 -58.59 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 176.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.19 -33.17 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' SER . 14.5 mtpp -79.32 -49.23 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -178.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.15 -36.19 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 15.9 mt -66.95 -51.82 50.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.208 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -58.96 -38.04 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.671 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -52.16 -39.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.7 m95 -89.61 -32.58 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -176.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -54.68 -22.5 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.85 -19.92 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.24 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.574 HG23 HG21 ' A' ' 242' ' ' ILE . 9.7 m -128.98 17.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -172.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.1 p -144.8 160.58 46.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 170.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 70.2 mt -61.78 155.94 21.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -131.75 165.04 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 171.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -137.03 125.59 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.5 t -108.34 162.13 14.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.07 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -105.7 147.81 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.21 140.29 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -105.97 -3.3 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -154.63 168.6 26.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.26 -168.48 54.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -108.99 111.44 23.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.257 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.35 160.62 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.31 -36.34 83.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.04 84.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.54 86.01 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.14 139.77 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 m -148.16 161.72 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.928 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.26 148.22 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 172.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -157.58 167.11 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.582 ' O ' ' C ' ' A' ' 149' ' ' ARG . 1.5 m -141.56 -174.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 174.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.582 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 26.48 -99.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 171.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -95.96 121.69 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.593 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 33.3 p-80 -156.32 32.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 174.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 83.12 -165.75 43.64 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.623 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.8 p30 48.97 -169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 0.803 . . . . 0.0 109.312 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -128.09 22.09 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -172.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.623 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.33 96.11 25.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 165.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.61 ' CE1' ' CE1' ' A' ' 166' ' ' HIS . 4.9 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 43.96 -148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.361 175.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.5 t -34.1 110.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.01 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.32 145.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.61 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -120.38 161.94 20.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.18 164.26 36.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.85 161.3 35.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 -174.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.52 178.27 0.35 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.83 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.229 0 O-C-N 124.509 1.794 . . . . 0.0 111.076 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.3 m-20 -88.37 167.4 13.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.3 -38.86 2.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.37 160.19 29.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 0.725 . . . . 0.0 109.232 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.66 115.28 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.474 ' HB2' ' NE2' ' A' ' 166' ' ' HIS . 4.4 m170 -91.0 124.96 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.55 149.92 22.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.943 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.445 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 47.4 t0 -78.09 104.12 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . 0.404 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -73.23 -24.46 60.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 176.744 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 49.4 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 176.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.33 153.26 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 61.1 tp60 -74.54 156.24 37.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.4 m95 -143.91 156.69 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' HA3' ' A' ' 192' ' ' GLY . 26.1 p -139.35 171.96 13.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -108.2 7.0 27.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -175.22 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 26.7 p -77.2 61.54 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 38.8 p -131.01 9.34 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.626 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 179.32 -138.98 3.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 97.3 m -81.18 77.67 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.419 172.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -41.63 105.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.04 -54.87 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.255 -171.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.511 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.4 t80 -47.41 -49.26 25.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.741 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -51.36 -38.53 53.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -178.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.22 -35.73 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.14 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.97 -38.93 86.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -177.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 -56.24 24.8 Favored 'General case' 0 N--CA 1.515 2.789 0 O-C-N 121.205 -0.934 . . . . 0.0 110.819 173.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -52.19 60.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.401 HG22 ' NE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -56.61 -39.31 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.221 -179.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.43 -46.18 29.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 111.073 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 95.8 m-70 -68.14 -41.44 81.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 0.813 . . . . 0.0 109.594 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -61.19 -34.7 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 -70.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 166.38 57.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.457 HD12 ' CH2' ' A' ' 124' ' ' TRP . 51.4 mt -139.73 154.68 47.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 0.715 . . . . 0.0 109.323 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 211' ' ' HIS . 46.3 m-85 -143.03 165.37 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 210' ' ' PHE . 60.5 m170 -39.49 126.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.597 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 33.5 m -97.16 174.45 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -87.51 -41.64 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.87 147.29 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.3 t -94.31 -22.83 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -65.43 -24.89 67.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.696 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.913 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -85.19 -13.73 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.331 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.613 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.4 tpp -75.48 -21.83 57.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 176.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 36.0 t80 -49.68 138.35 17.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 176.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.94 57.23 4.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.081 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.96 132.46 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 178.347 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -74.49 142.76 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.23 123.94 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 55.5 p -97.92 -179.32 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.2 tp -142.96 151.79 41.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.9 p -45.97 -44.98 15.39 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.072 . . . . 0.0 110.432 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.17 98.97 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.788 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.62 -22.64 67.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -176.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 230' ' ' THR . 1.7 p -74.89 -5.1 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -106.49 -5.05 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.614 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.66 153.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.6 152.11 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 12.4 mt -72.57 149.02 44.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 176.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.696 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 78.2 p -84.98 167.41 15.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -57.68 -33.03 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -45.7 66.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.95 -48.83 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.54 -38.42 82.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.65 -47.2 67.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.46 -49.93 7.76 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -60.0 -24.58 30.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 0.738 . . . . 0.0 109.338 -175.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.51 -45.22 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.9 t -53.8 -28.91 37.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 90' ' ' PRO . 14.9 mt -82.56 -32.69 28.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 2.8 m-85 -140.97 -83.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 88.99 122.68 2.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.98 28.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.76 . . . . 0.0 111.068 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.223 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 p -132.52 -109.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.417 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.647 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 177.61 167.59 0.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -177.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.0 85.07 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.013 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.83 6.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -173.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt 66.96 118.35 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.9 126.81 10.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 49.5 pttt 172.73 123.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -65.65 164.36 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -87.66 -3.95 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -172.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 161.43 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.303 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 p -86.25 -29.91 22.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -85.4 102.79 13.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.92 161.63 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -176.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.87 159.6 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -150.92 169.22 22.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -166.31 129.67 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -90.63 111.88 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.21 -42.18 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -173.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -151.9 168.51 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -116.1 -177.28 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -113.92 142.05 27.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.382 -178.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.85 66.79 5.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.021 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -161.6 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.1 158.58 31.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.98 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 110.99 172.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -64.28 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.173 . . . . 0.0 109.368 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 115' ' ' SER . 0.0 OUTLIER -47.28 -39.42 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -178.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.57 -42.44 98.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -173.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.09 -55.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -54.95 -33.17 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' ASP . 5.8 t -62.13 -50.09 73.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -49.65 -38.13 31.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.55 -51.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -49.11 -28.33 4.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.4 mttm -89.67 -50.81 5.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -177.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.79 -46.68 74.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -56.71 -55.19 37.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -62.32 -30.8 71.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.594 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.88 -32.77 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -177.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.9 m95 -89.69 -28.22 19.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 108.02 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.19 -24.26 17.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 110.26 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.72 -19.23 52.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.601 HG23 HG21 ' A' ' 242' ' ' ILE . 10.7 m -130.4 17.89 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -174.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.7 p -145.12 158.35 52.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.15 19.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 173.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 31.0 mt -66.44 154.21 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -128.98 167.86 16.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 171.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.06 154.43 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.7 m -155.61 145.11 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -96.91 153.33 17.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.24 154.4 46.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -103.14 -4.19 24.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.51 167.96 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.26 -173.84 54.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -106.55 103.18 12.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.78 163.78 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.01 -46.1 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.3 mt -113.93 91.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -92.15 116.21 28.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.18 140.48 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.35 164.1 38.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.6 m-85 -122.17 147.55 46.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.82 143.19 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.15 157.1 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 169.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 49.93 -166.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.343 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.76 144.02 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.662 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 50.8 p-80 -160.66 36.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.643 -163.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 124.28 -94.34 0.48 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -70.95 -173.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.3 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.0 t80 -90.97 80.97 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -157.56 78.64 3.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.07 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.44 4.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.721 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 49.31 -157.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 109.245 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.721 HG12 ' CE1' ' A' ' 157' ' ' PHE . 57.4 t -37.54 116.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 4.5 mt -91.21 -26.02 19.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 175.5 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -173.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.405 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 11.5 p-80 -145.11 170.28 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.618 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -149.62 172.33 15.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -122.26 158.18 30.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.29 166.17 0.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.114 0 O-C-N 124.573 1.828 . . . . 0.0 110.994 -170.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.76 159.76 19.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.48 -37.24 2.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.18 146.67 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.242 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -112.47 117.78 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -98.37 130.9 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.534 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 21.8 m-85 -116.49 157.38 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 175.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -77.96 138.87 39.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -25.46 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.38 -25.03 59.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.02 151.55 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.9 155.76 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -139.79 155.91 47.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 108.008 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.6 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 38.2 p -141.54 161.78 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -99.83 14.69 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -163.06 -172.92 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.1 p -85.14 55.61 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 11.0 t -127.34 5.14 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.6 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -156.78 -143.55 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.057 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 194' ' ' ASN . 93.1 m -88.7 71.06 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.409 169.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 193' ' ' THR . 21.9 t-20 -34.91 113.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.52 -41.67 98.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -173.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -61.6 -39.74 92.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -174.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.934 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -62.0 -38.2 87.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 177.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.36 -32.76 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.5 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.78 -41.62 91.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . 0.437 ' NE2' ' NE2' ' A' ' 205' ' ' HIS . 68.5 t60 -58.23 -56.24 24.56 Favored 'General case' 0 N--CA 1.514 2.758 0 O-C-N 121.195 -0.941 . . . . 0.0 110.898 175.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.83 9.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -48.58 -42.03 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.9 -47.41 79.6 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 56.5 m-70 -62.19 -34.66 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.588 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.1 m -70.65 -39.05 73.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.67 -67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 163.14 45.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.545 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.9 mt -121.16 168.64 11.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 0.713 . . . . 0.0 109.358 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 40.8 m-85 -159.18 171.54 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -46.14 122.68 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 32.0 m -84.75 174.17 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.963 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.63 -39.48 16.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.419 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 8.4 t30 -59.43 146.5 39.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -99.42 -9.8 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.68 -4.73 40.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.88 159.53 24.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.203 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -82.67 -21.99 34.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 176.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.42 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.9 tpt -72.64 -15.07 61.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 11.6 t80 -59.15 145.26 81.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -16.73 20.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.002 -170.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 140.33 31.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -57.24 153.95 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -161.24 122.69 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.613 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 92.2 p -114.56 173.21 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.8 tp -140.26 147.29 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 6.4 t -47.35 -37.64 11.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.49 104.11 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -67.07 -17.49 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -174.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.6 t -61.51 -9.34 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -111.34 -6.13 14.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.677 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -48.1 145.9 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.2 mtm180 -154.72 151.33 28.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 176.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.801 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.9 mt -69.31 138.99 54.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 42.7 t -77.46 168.57 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.47 -28.06 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.253 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.92 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.26 -47.77 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.691 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -65.11 -35.35 75.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -49.16 -46.22 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.03 -53.96 4.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.9 OUTLIER -54.8 -45.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -174.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.8 m -71.37 -27.11 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.0 mt -86.56 -16.32 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.481 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 3.7 m-85 -153.57 -82.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 84.64 126.27 1.45 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.452 1.095 . . . . 0.0 110.939 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.81 28.41 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.99 8.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 178.135 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -127.39 134.0 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.95 171.87 0.81 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.14 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.749 . . . . 0.0 110.997 175.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.9 -11.66 3.65 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -173.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mt 66.17 99.54 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 110.949 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt 177.15 123.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -59.77 152.67 22.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.047 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -90.74 -4.25 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -123.8 151.93 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 p -91.35 -31.72 15.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -74.89 76.52 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.627 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.53 158.14 32.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.34 145.72 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.37 169.7 17.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -95.57 116.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -40.73 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.18 168.48 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.55 -177.97 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -113.29 141.11 25.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 -177.337 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 69.46 5.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.94 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.6 mt -100.81 159.41 29.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 170.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -60.42 -60.8 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.62 -36.56 62.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -175.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.78 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.33 -56.01 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -51.38 -33.98 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.4 t -60.18 -46.29 90.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.77 -33.1 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.42 -52.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -26.78 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 173.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 45.7 mtpt -90.11 -53.17 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -175.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.52 -48.31 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.88 -52.9 58.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -30.77 71.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -174.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.604 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -58.92 -35.34 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 242' ' ' ILE . 98.0 m95 -86.74 -33.17 20.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -52.01 -27.49 13.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.46 -18.38 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 242' ' ' ILE . 10.6 m -128.72 16.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -170.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 127' ' ' VAL . 2.6 p -151.64 162.84 25.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.426 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -7.52 19.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 110.937 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.442 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.9 mt -59.64 154.51 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.227 -170.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -136.74 134.53 37.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.75 137.18 47.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -126.9 164.11 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -113.35 153.16 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -132.76 135.29 45.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -89.18 -5.08 57.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.88 176.86 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.78 -149.84 31.99 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.15 100.54 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.793 . . . . 0.0 110.302 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.17 156.09 38.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -36.34 83.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.5 mt -118.47 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.6 mtt -91.15 90.29 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.2 149.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -155.09 158.64 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 23.5 m-85 -122.46 130.32 52.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.56 169.01 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.9 m -134.21 -169.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 170.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 38.51 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.18 103.2 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.497 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 37.7 p-80 -103.87 50.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 -176.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 67.87 63.53 3.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.725 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 4.9 p-10 -178.84 -170.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 -171.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.4 OUTLIER -125.3 14.73 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.725 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -114.28 93.54 31.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 167.055 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.13 31.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.3 m-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 44.78 -152.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.0 t -38.11 115.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 193' ' ' THR . 1.7 mt -89.44 -37.18 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.91 144.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -122.69 167.34 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.601 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.28 173.0 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.438 ' OH ' ' CE2' ' A' ' 155' ' ' TYR . 26.1 m-85 -143.01 159.59 41.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -175.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -53.34 162.61 1.13 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -69.43 139.88 54.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.75 -30.27 6.69 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.555 1.16 . . . . 0.0 110.926 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 157.62 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.91 111.55 9.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -94.33 124.1 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 17.0 m-85 -98.93 145.51 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 43.5 t0 -74.96 107.04 6.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -74.74 -25.72 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.28 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.8 t70 -69.46 -11.73 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -106.24 141.4 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.02 153.67 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -129.51 157.47 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.569 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 23.6 p -146.67 162.53 38.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -104.24 13.55 32.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -175.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.15 178.82 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.9 p -74.8 68.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 24.9 p -133.71 -52.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.569 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.73 -133.9 8.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 176.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 194' ' ' ASN . 52.0 m -94.12 83.93 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 110.408 168.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 193' ' ' THR . 19.1 t-20 -37.1 109.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.39 -54.58 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.554 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -51.11 -41.66 60.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 111.039 -174.549 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.95 -38.33 85.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.52 -34.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.85 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.8 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.58 -49.62 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -52.83 -55.97 19.16 Favored 'General case' 0 N--CA 1.515 2.791 0 O-C-N 121.139 -0.975 . . . . 0.0 110.873 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -50.88 -61.41 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.254 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.51 -45.4 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.23 20.58 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.9 m-70 -68.39 -37.89 80.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.381 0.695 . . . . 0.0 109.556 -177.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 72.1 m -68.93 -29.3 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.97 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 242' ' ' ILE . 54.7 mt -73.16 -50.77 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.35 50.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.838 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.9 OUTLIER -155.08 132.3 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 174.025 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 211' ' ' HIS . 22.2 m-85 -115.84 -178.31 3.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -171.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 210' ' ' PHE . 61.4 m170 -37.82 133.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.568 -170.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -96.21 168.6 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.76 -34.08 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.43 149.47 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.8 p -102.17 -3.85 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.06 -15.65 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.432 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -84.63 152.92 23.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -80.71 -17.44 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.56 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -71.97 -18.85 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 177.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 43.2 t80 -55.61 136.65 70.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.92 61.68 5.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.07 128.81 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 176.213 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.55 149.88 41.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 110.933 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -167.72 122.53 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.576 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.1 t -87.92 165.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 227' ' ' THR . 41.9 tp -137.09 126.03 24.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 226' ' ' LEU . 68.2 p -34.23 -62.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 110.381 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.81 87.89 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 13.0 t -67.83 -12.6 60.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -112.5 -5.5 14.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -48.23 145.03 3.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -147.42 160.01 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 177.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.604 HD11 ' CG1' ' A' ' 123' ' ' VAL . 3.5 mt -80.93 133.87 35.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 175.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 51.8 p -67.74 169.0 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.074 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -31.61 64.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.04 -49.5 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.218 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . 0.414 ' CG ' ' HB1' ' A' ' 217' ' ' ALA . 63.2 m-20 -59.56 -40.77 88.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -71.5 -39.37 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -53.94 -44.2 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.32 -56.97 4.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.5 OUTLIER -54.3 -26.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -176.339 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -79.93 -43.03 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 53.9 p -58.83 -27.4 65.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.2 mt -91.02 -16.18 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.442 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.2 m-85 -149.16 -93.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.87 118.92 3.89 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.14 23.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.565 1.824 . . . . 0.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 123.41 7.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.086 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 110.958 178.219 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -138.15 135.88 36.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.59 169.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 172.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.71 6.89 13.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.6 mt 58.02 101.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.376 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.636 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.94 129.1 12.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 pttt 178.85 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -69.17 150.65 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.03 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.2 -4.59 59.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 151.61 48.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -90.29 -33.91 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -79.41 84.43 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.44 158.71 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.0 150.46 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -141.58 174.29 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -160.82 149.94 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -109.36 118.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 173.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.92 -40.94 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -159.56 172.5 17.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.26 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -176.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.65 142.78 25.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 -176.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 64.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.583 1.833 . . . . 0.0 110.959 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -157.72 -49.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.37 158.3 34.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.95 163.59 35.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.058 170.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.55 -59.49 5.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.51 -35.48 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.74 -46.27 86.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.01 -53.84 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.9 -39.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.3 t -54.95 -42.89 72.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 -177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.05 67.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.45 -53.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -30.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 115' ' ' SER . 5.8 mtpp -88.48 -53.91 4.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.42 -46.55 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.04 -53.88 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -30.36 71.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -171.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.79 -32.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -178.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.775 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 95.7 m95 -87.44 -24.83 24.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -23.77 40.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 -20.89 55.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -176.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 242' ' ' ILE . 5.5 m -129.5 13.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -171.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.0 p -145.09 159.77 48.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 246' ' ' TYR . 51.4 mt -63.04 153.27 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -167.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.5 p -134.74 135.59 42.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 172.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -110.77 147.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -171.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.9 m -143.12 153.71 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.89 152.65 21.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.8 mt -125.71 138.11 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -76.12 -13.36 60.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.97 170.11 15.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.17 160.86 36.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.62 90.59 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.75 167.99 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.45 -36.54 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.8 91.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.01 80.86 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.052 . . . . 0.0 110.977 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.17 141.69 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.9 t -155.28 158.26 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.15 145.05 40.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 174.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.05 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.4 m -105.06 170.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.39 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.3 ptt85 42.15 -162.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.37 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.27 126.68 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.1 p-80 -134.24 47.01 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.645 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 69.81 -157.51 53.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.533 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 2.5 p30 48.61 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.3 t80 -101.36 -5.98 24.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -174.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.642 ' CD1' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.57 91.98 35.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 178.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.21 16.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 173.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.55 -149.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.444 HG12 ' CE1' ' A' ' 157' ' ' PHE . 35.6 t -37.13 115.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 172.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.65 -41.46 15.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.63 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -171.85 142.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 173.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -125.75 158.64 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 -177.491 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.91 163.24 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.384 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.642 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 9.2 m-85 -139.2 156.48 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -55.18 174.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 174' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.3 m120 -87.5 163.54 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.74 -37.58 2.95 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.549 1.156 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 66.2 t0 -65.7 149.93 49.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -126.41 120.49 29.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 16.3 m170 -98.14 126.08 43.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.569 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 27.9 m-85 -96.71 174.47 6.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 171.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.62 130.27 45.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 -21.86 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.36 51.4 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -161.8 154.2 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 55.7 tp60 -74.7 154.21 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.497 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 92.6 m95 -146.68 156.01 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 192' ' ' GLY . 5.7 p -140.77 177.09 8.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -117.24 26.07 10.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.42 178.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 226' ' ' LEU . 1.5 p -75.04 72.03 2.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -134.02 -48.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.57 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.8 -135.32 5.33 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 194' ' ' ASN . 30.3 m -80.28 79.03 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.388 172.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 193' ' ' THR . 50.0 t-20 -34.82 108.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 69.8 tp -64.73 -65.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.82 -49.51 10.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 197' ' ' LEU . 1.6 tm? -55.61 -35.63 66.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.239 -176.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.64 -34.21 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.92 92.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.361 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.817 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.43 -51.59 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -177.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -44.07 -55.38 4.76 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.157 -0.965 . . . . 0.0 110.827 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.63 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.7 mt-10 -51.24 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.07 -34.62 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.02 -48.5 38.52 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 96.1 m-70 -67.33 -41.45 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.573 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 45.2 t -55.91 -39.67 71.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.046 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.99 -63.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 156.24 49.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.567 HD12 ' CH2' ' A' ' 124' ' ' TRP . 11.4 mt -122.2 168.92 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -156.45 168.75 26.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -42.88 120.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 58.5 p -86.63 174.45 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.5 -37.48 15.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.05 148.27 44.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.5 t -97.67 -19.73 18.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.71 -4.87 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -81.34 -179.48 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.2 OUTLIER -95.38 -43.72 7.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -174.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 93.8 mmm -66.58 -17.04 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.7 t80 -43.41 137.55 2.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.36 133.41 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.8 144.35 56.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.102 . . . . 0.0 110.937 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -169.83 124.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.599 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.51 ' OG ' HG22 ' A' ' 190' ' ' THR . 1.6 t -120.38 134.52 55.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.671 ' O ' HG21 ' A' ' 190' ' ' THR . 46.3 tp -82.77 130.01 35.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 226' ' ' LEU . 60.1 m -36.46 -60.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.17 90.7 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.83 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -62.1 -24.53 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -175.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.443 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -63.34 -19.26 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -177.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -97.78 -5.52 34.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.713 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 8.5 t80 -47.0 152.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -158.0 158.23 34.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.775 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 61.4 mt -83.28 127.94 34.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 173.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 36.3 t -73.53 166.51 23.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -35.83 70.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 -174.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.29 -44.29 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.07 -41.65 73.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -68.9 -35.63 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -44.42 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -81.94 -53.14 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.7 OUTLIER -54.3 -46.2 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -174.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -26.64 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -175.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 29.5 t -72.56 -30.41 64.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.4 mt -84.06 -17.75 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 130' ' ' LEU . 51.2 m-85 -137.87 -87.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.95 110.92 2.4 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 168.36 25.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 164.88 32.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.254 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.5 p -116.15 136.07 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.628 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 172.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.628 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.03 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 -173.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.91 -10.73 6.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -170.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.0 mt 63.95 112.67 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.312 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.816 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -74.99 128.45 11.5 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.1 pttp 173.75 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.41 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 61.0 m95 -73.94 156.79 37.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.011 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.13 -3.69 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -141.03 155.19 46.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -178.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 p -89.14 -28.85 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -74.22 80.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD11 HD13 ' A' ' 130' ' ' LEU . 45.7 mt -78.75 157.19 28.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -175.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.21 154.3 49.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.357 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -149.26 171.01 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 110.964 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -160.92 145.34 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.62 117.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.45 -39.31 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -162.64 173.39 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.35 -168.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -114.82 142.05 27.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -177.349 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -75.06 67.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -161.97 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -101.39 159.2 30.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 163.43 35.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 170.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -63.14 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -174.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.12 -37.44 54.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.76 -46.56 84.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.39 -51.93 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.61 -34.26 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -64.13 -41.97 97.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.52 -36.52 71.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.87 -55.14 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.44 -31.11 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 36.3 mtpt -82.25 -55.06 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.99 -38.55 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.57 -49.25 71.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.755 HG13 HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.81 -34.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -178.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.891 ' CE3' HD13 ' A' ' 242' ' ' ILE . 82.9 m95 -91.69 -34.57 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -57.53 -23.21 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.265 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -17.53 51.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 242' ' ' ILE . 20.0 m -126.91 20.67 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -174.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 242' ' ' ILE . 68.3 p -146.59 159.36 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.393 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.961 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 97' ' ' LEU . 29.2 mt -60.66 153.05 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -172.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 134.25 40.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -103.67 130.77 51.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.968 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -120.6 150.96 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.081 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -91.82 156.11 17.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.4 mt -134.59 115.4 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -60.74 -22.47 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.53 165.06 21.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.69 173.64 24.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.8 99.68 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.09 162.04 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.43 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -63.17 -47.84 80.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -178.199 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.23 86.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.64 95.68 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.85 144.34 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -155.1 163.35 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -118.19 137.63 52.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 173.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.64 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -148.41 167.27 25.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -175.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.526 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.3 m -137.11 174.94 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 171.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.9 OUTLIER 33.67 -145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 178.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.49 100.75 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.64 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 36.1 p-80 -107.73 8.36 28.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.632 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 157.26 -90.74 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 4.7 t0 -72.34 -171.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -92.33 75.93 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.573 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.7 67.25 4.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.2 Cg_endo -75.02 131.32 14.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.415 1.745 . . . . 0.0 110.973 -171.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 8.5 m-30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -157.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.65 118.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.97 -36.63 18.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 180' ' ' PHE . . . -171.37 144.74 2.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 173.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.411 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -118.69 174.1 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 176.147 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.97 164.25 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 176.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -114.61 171.32 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.52 171.13 5.49 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 177.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.63 151.28 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.75 -32.89 4.37 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.5 39.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.715 . . . . 0.0 109.353 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.4 111.31 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -95.45 121.76 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 22.1 m-85 -91.46 155.01 18.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.405 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 56.5 t0 -82.34 105.48 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.32 -24.33 59.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.415 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.6 OUTLIER -82.38 47.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.279 176.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.79 150.68 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 0.0 110.264 -177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -74.6 155.18 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.342 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.83 156.71 45.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 108.023 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.5 p -144.97 159.87 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.47 28.19 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.13 177.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.4 p -69.96 74.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.6 p -139.73 -48.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -108.96 -132.55 6.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 194' ' ' ASN . 22.5 m -91.38 89.06 7.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 0.723 . . . . 0.0 110.383 168.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 193' ' ' THR . 18.2 t-20 -42.76 111.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.14 -45.67 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -60.96 -38.35 85.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -174.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -61.69 -38.52 88.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.34 -32.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.16 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.762 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.4 -47.91 82.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -49.8 -55.95 12.19 Favored 'General case' 0 N--CA 1.514 2.737 0 O-C-N 121.153 -0.967 . . . . 0.0 110.899 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.407 ' OE1' ' CE2' ' A' ' 180' ' ' PHE . 3.1 mt-10 -50.51 -63.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 110.373 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.91 -36.68 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -45.5 -45.17 11.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 29.8 m-70 -66.17 -40.18 90.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.581 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.9 t -62.16 -44.57 96.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 242' ' ' ILE . 39.4 mt -70.38 -53.47 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -172.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 144.61 56.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 172.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 1.015 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -153.46 141.03 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.325 166.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 211' ' ' HIS . 41.5 m-85 -118.22 -175.37 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 210' ' ' PHE . 55.3 m170 -37.93 126.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.0 m -95.08 173.31 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.81 -42.33 15.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.296 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.56 148.53 23.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 64.2 p -95.97 -26.09 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.38 -15.89 60.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.52 159.61 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -27.83 19.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -176.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.544 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -63.45 -18.79 64.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 178.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.44 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 44.8 t80 -59.9 138.16 90.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 64.39 6.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -177.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.16 139.39 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -75.6 144.74 41.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -171.83 123.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -100.84 135.23 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.81 164.0 27.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -41.81 -35.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -145.03 116.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.364 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.765 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -68.51 -22.58 64.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -174.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.78 -14.03 61.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -114.27 -5.58 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.707 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -43.22 143.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.476 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 2.8 ttp180 -143.94 161.63 38.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 176.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -84.57 135.66 34.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 177.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.2 t -68.69 168.19 13.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.28 70.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -55.08 -44.48 74.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.14 -51.83 61.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.788 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -61.06 -35.86 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 239' ' ' ILE . 32.2 t-20 -36.48 -48.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.64 -50.11 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 1.015 HD12 HD21 ' A' ' 209' ' ' LEU . 0.1 OUTLIER -59.62 -19.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -174.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.84 -43.85 7.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 28.9 t -58.42 -36.47 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 110.006 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.2 mt -84.92 -15.56 44.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.41 ' CE1' HD21 ' A' ' 130' ' ' LEU . 19.8 m-85 -150.83 -93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.29 127.1 1.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 166.69 28.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.3 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 111.091 179.086 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -148.9 144.19 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.2 OUTLIER -57.15 169.71 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 170.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 173.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.21 -9.21 4.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 245' ' ' LEU . 67.7 mt 67.51 103.22 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.514 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.8 pttt 178.93 122.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.41 143.86 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -80.33 -8.43 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -114.07 155.9 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.6 p -93.62 -32.16 14.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -80.98 89.72 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 130' ' ' LEU . 50.9 mt -87.3 161.56 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.01 152.77 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -146.3 176.11 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -165.42 151.47 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG21 ' A' ' 117' ' ' VAL . 2.0 mm -108.83 116.42 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.98 -43.06 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 13.9 p-10 -152.98 170.94 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -133.34 156.14 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -76.21 144.06 74.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -175.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.94 74.04 4.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.94 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.364 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.61 157.46 35.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.584 1.178 . . . . 0.0 109.276 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.509 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 163.87 34.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 170.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.47 -60.89 3.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.16 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.49 -46.14 87.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.243 -176.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.4 -51.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.43 -34.83 62.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -60.48 -43.56 96.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.97 -45.16 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 101' ' ' ILE . 31.1 t -68.67 -54.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -43.65 -37.88 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.5 mttt -74.12 -51.95 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.83 -36.26 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.3 mt -67.22 -52.79 36.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.76 -34.78 76.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.615 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -54.04 -40.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.716 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.9 m95 -84.57 -31.83 24.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.99 -24.52 39.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -19.14 58.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 6.4 m -130.68 18.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.429 ' CG2' HG12 ' A' ' 242' ' ' ILE . 75.8 p -145.77 159.97 45.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 170.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.22 21.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.622 HD13 HD11 ' A' ' 97' ' ' LEU . 84.4 mt -57.51 154.68 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -136.45 134.54 37.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.47 124.82 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -105.99 163.34 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 144.47 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.89 133.46 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -97.52 -4.72 37.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -152.7 164.7 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.34 174.0 45.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.09 . . . . 0.0 111.049 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -92.93 95.47 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.297 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.82 162.02 7.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.69 -37.2 86.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.3 mt -115.4 84.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.69 84.45 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.43 137.35 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 t -151.39 163.88 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -175.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -116.08 156.85 25.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -158.87 142.72 15.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.6 m -107.92 159.23 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 48.4 -156.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.6 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.5 p-80 -135.43 26.47 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.635 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 87.08 -161.64 33.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 152' ' ' GLY . 2.3 p30 48.75 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 0.811 . . . . 0.0 109.339 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.5 t80 -97.26 -4.83 38.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -116.51 85.5 16.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 177.187 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.481 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.7 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 172.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 45.51 -151.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.335 178.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -34.91 113.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 174.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.98 -35.32 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.76 142.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.0 p-80 -133.64 161.35 34.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.58 174.61 15.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.2 OUTLIER -141.55 137.01 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 -175.261 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.712 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -56.86 155.4 15.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -171.567 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 174' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -85.93 174.01 9.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.23 -32.38 5.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.13 27.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.62 121.03 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -96.86 124.66 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.573 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 22.3 m-85 -105.8 162.85 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.976 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.55 127.15 36.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.5 -13.51 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 148' ' ' VAL . 1.1 t0 -92.38 36.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.07 165.54 27.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -82.48 154.85 24.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -149.2 153.44 37.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.585 HG21 ' N ' ' A' ' 192' ' ' GLY . 3.1 p -139.47 178.04 7.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -115.44 19.7 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.39 177.81 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 p -74.79 71.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 19.2 p -133.24 -46.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.417 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.585 ' N ' HG21 ' A' ' 187' ' ' THR . . . -118.9 -133.14 4.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.5 m -86.54 74.23 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.433 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 193' ' ' THR . 38.8 t30 -39.69 107.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.4 tp -56.42 -49.82 73.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -51.18 -44.38 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.629 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -55.94 -39.17 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.03 -32.97 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.86 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.777 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.36 -48.27 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -56.6 -51.08 70.03 Favored 'General case' 0 N--CA 1.515 2.798 0 O-C-N 121.18 -0.95 . . . . 0.0 110.883 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 5.5 mm-40 -51.1 -59.97 3.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.78 -36.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.25 -46.4 43.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.875 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 67.8 m-70 -63.9 -37.89 89.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.9 t -69.61 -27.94 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.03 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.46 -101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -148.82 25.03 1.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 19.0 mt -122.38 169.23 11.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.621 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 17.2 m-85 -146.08 -55.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.055 . . . . 0.0 110.982 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -152.76 154.5 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 m -124.16 166.92 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.47 -30.71 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.75 148.1 40.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -95.77 -17.48 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.443 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.23 -23.89 63.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 238' ' ' ASP . . . -79.28 159.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -177.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -88.03 -20.08 26.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.7 tpt -69.38 -18.7 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 178.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.575 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 57.7 t80 -51.82 138.62 32.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 176.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 62.31 5.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.5 OUTLIER -168.27 132.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 176.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -51.44 154.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -139.71 168.31 20.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 1.061 . . . . 0.0 109.547 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 65.4 p -166.63 164.21 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.015 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.58 154.0 33.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.5 m -50.42 -34.55 24.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -139.75 105.93 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -68.61 -23.46 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -175.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.487 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -64.42 -10.5 25.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -106.61 -5.48 18.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.686 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -58.22 145.85 35.91 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 5.2 ttt180 -155.84 155.79 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.716 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 21.8 mt -71.59 131.42 43.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 84.2 p -73.34 166.69 22.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -36.21 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.7 -43.04 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . 0.669 ' OD1' ' HB1' ' A' ' 217' ' ' ALA . 86.1 m-20 -70.72 -42.16 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -174.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -67.82 -35.97 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -51.0 -43.34 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.46 -58.97 2.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -53.12 -45.67 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.328 -174.215 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.05 -24.7 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 45.0 t -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 89' ' ' ILE . 1.2 mt -79.12 -20.01 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 130' ' ' LEU . 32.3 m-85 -144.38 -90.6 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.74 116.7 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.77 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.409 1.742 . . . . 0.0 111.018 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.97 32.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.18 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -134.55 134.55 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.72 171.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.88 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.07 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.9 -10.8 4.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.4 mt 66.31 102.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.328 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 pttp 178.96 122.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.25 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -63.54 150.99 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 107.989 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -85.41 -3.68 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.08 153.69 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -87.01 -31.61 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -74.95 86.03 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.58 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.9 mt -83.5 160.37 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.35 156.75 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -149.5 171.48 16.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -160.46 147.09 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.97 117.21 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.358 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.72 -38.43 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -163.0 168.31 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 -166.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -175.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.88 139.19 23.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 59.43 5.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -154.74 -47.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.13 157.71 33.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.31 25.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.29 -64.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -36.25 20.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.37 -46.24 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.16 -53.78 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.14 -35.87 60.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 119' ' ' LYS . 4.0 t -59.07 -48.8 80.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.24 -37.44 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.93 -51.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -47.27 -29.91 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.1 mttm -89.0 -51.66 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.33 -43.19 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.228 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.2 -54.34 45.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -32.37 72.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.186 . . . . 0.0 109.379 -172.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.28 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 242' ' ' ILE . 96.7 m95 -88.8 -31.37 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.53 -23.17 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.07 -18.25 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 128' ' ' THR . 13.2 m -128.72 14.75 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -173.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -155.68 161.61 29.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 169.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.08 19.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 246' ' ' TYR . 60.7 mt -60.63 152.76 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.6 p -130.88 167.53 18.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.369 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.01 155.32 50.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.3 m -154.24 146.88 24.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.927 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -92.53 150.49 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.363 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.97 113.5 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.73 -23.7 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -157.19 167.96 28.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.93 -176.87 29.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.15 104.88 15.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.557 0.798 . . . . 0.0 110.353 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.13 164.01 21.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.2 87.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.8 mt -112.65 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.59 92.17 8.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.04 142.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -149.36 157.07 43.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.078 . . . . 0.0 110.01 -176.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 13.0 m-85 -119.23 144.14 46.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.4 144.45 10.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.81 156.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 49.53 -173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 110.281 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.6 140.22 8.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.694 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 24.0 p-80 -147.11 30.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.579 -166.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 128.22 -91.51 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.483 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER -71.01 -173.44 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -176.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.5 t80 -87.12 76.71 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -152.25 72.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 174.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.28 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -168.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.499 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.0 -153.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 178.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.499 HG12 ' CE1' ' A' ' 157' ' ' PHE . 25.6 t -37.26 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 175.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.492 HD22 HG21 ' A' ' 193' ' ' THR . 21.7 mt -81.52 -42.65 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.569 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -173.05 143.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.356 176.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -123.69 166.85 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.82 166.86 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.73 153.32 50.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -51.43 170.5 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.2 m-20 -90.03 160.21 16.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.13 -36.27 3.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.63 158.54 29.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 0.813 . . . . 0.0 109.267 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.55 121.49 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -104.15 123.11 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.573 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.562 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 28.3 m-85 -98.66 171.28 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 174.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -97.89 132.48 43.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -18.93 17.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.39 51.84 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -172.08 147.15 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 48.7 tp60 -71.54 153.62 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 110.219 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.512 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 89.0 m95 -136.26 157.06 47.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 108.066 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.613 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -135.61 171.25 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -113.1 19.23 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.85 177.73 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 16.8 p -76.83 66.55 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 110.433 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.1 p -127.54 -50.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.613 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.19 -134.39 6.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.044 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.492 HG21 HD22 ' A' ' 164' ' ' LEU . 94.9 m -85.08 84.58 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 0.728 . . . . 0.0 110.459 171.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -49.66 108.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.84 -43.69 97.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -60.7 -40.17 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.602 HD23 HD12 ' A' ' 218' ' ' LEU . 0.6 OUTLIER -61.75 -38.32 87.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.59 -33.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.54 -50.15 74.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -48.07 -58.89 3.86 Favored 'General case' 0 N--CA 1.515 2.794 0 O-C-N 121.208 -0.932 . . . . 0.0 110.877 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.569 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 3.1 mt-10 -51.44 -60.87 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.41 -39.56 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.68 -46.04 47.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.06 -43.94 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.659 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 69.2 m -57.11 -41.12 78.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 242' ' ' ILE . 75.6 mt -65.47 -58.82 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.09 52.69 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 242' ' ' ILE . 0.4 OUTLIER -155.93 142.63 18.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 172.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -119.09 -177.05 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -172.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -41.74 137.73 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.628 -173.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 213' ' ' ALA . 96.0 p -90.01 -105.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 212' ' ' SER . . . -174.92 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.83 147.73 37.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 14.2 t -88.59 -20.61 24.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.438 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.37 -18.02 59.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.26 171.76 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -104.95 -36.15 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -176.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.89 -18.61 63.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.539 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 13.1 t80 -44.07 144.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.03 -39.77 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 222' ' ' LEU . 1.9 tm? -73.28 131.02 41.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . 0.401 ' N ' HD13 ' A' ' 222' ' ' LEU . 39.6 t80 -48.19 152.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -149.09 160.33 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.539 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 31.6 t -158.98 179.73 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 226' ' ' LEU . 12.9 tp -153.1 147.61 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.3 t -56.73 -28.03 60.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -141.47 108.18 5.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -86.35 -17.08 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -171.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 4.9 p -64.16 -6.02 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -117.81 -5.89 11.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.706 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -44.64 144.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -177.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.468 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 1.9 ttt85 -151.43 157.17 42.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 123' ' ' VAL . 11.5 mt -77.52 136.85 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 176.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 46.6 t -77.71 166.62 22.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -34.02 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -55.48 -41.07 72.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -75.29 -43.08 53.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.652 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -65.79 -33.92 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 -177.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -47.44 -47.56 26.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.3 -55.97 3.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -173.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 209' ' ' LEU . 0.6 OUTLIER -51.13 -47.45 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.279 -175.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.49 60.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.4 t -70.92 -32.82 69.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.013 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.26 -16.91 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.467 ' CE1' HD21 ' A' ' 130' ' ' LEU . 33.8 m-85 -148.59 -90.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.41 120.03 4.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.77 26.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.47 7.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.439 1.758 . . . . 0.0 111.035 178.153 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.1 p -130.52 135.57 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.55 171.65 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 170.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 3.61 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.11 8.62 8.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp 54.17 95.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 129.02 11.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.052 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 176.11 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -62.82 146.99 51.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 108.011 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -81.71 -3.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.57 157.86 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 p -89.92 -30.09 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -77.66 87.7 3.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.61 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 130' ' ' LEU . 24.6 mt -86.11 152.59 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -178.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.04 150.4 48.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -144.65 173.59 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -161.42 152.46 18.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.68 116.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 172.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.27 -41.08 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -157.45 172.83 17.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -128.95 -176.81 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -106.72 143.52 27.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -175.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.96 63.71 5.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -158.13 -48.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 108' ' ' LEU . 24.0 mt -102.34 158.75 31.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 171.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -65.96 -59.6 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.4 -37.03 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.56 -45.89 90.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -175.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.25 -52.05 52.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -33.5 52.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -65.45 -42.91 91.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.76 -39.87 71.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 13.3 t -71.21 -56.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 177.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -44.6 -33.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' SER . 37.2 mtpt -79.08 -50.09 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.191 . . . . 0.0 109.306 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.79 -36.96 67.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.1 mt -66.67 -50.45 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.676 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.5 t -52.96 -40.23 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.877 ' CE3' HD13 ' A' ' 242' ' ' ILE . 76.8 m95 -85.13 -33.34 22.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.4 -22.71 54.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.08 -19.02 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.522 HG11 ' CG1' ' A' ' 239' ' ' ILE . 13.3 m -127.79 19.47 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.286 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.451 ' CG2' HG12 ' A' ' 242' ' ' ILE . 33.5 p -145.35 157.64 52.47 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 169.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -8.3 20.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.017 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.539 HD13 HD11 ' A' ' 97' ' ' LEU . 57.3 mt -59.81 154.66 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 -171.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.38 134.72 44.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.416 ' HB3' HD13 ' A' ' 121' ' ' LEU . 95.3 m-85 -107.25 147.5 30.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -142.54 147.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -99.01 148.82 23.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.236 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.15 121.97 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -60.79 -25.59 66.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 111.05 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.47 163.12 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 122.93 -147.22 16.71 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -128.51 81.14 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 0.808 . . . . 0.0 110.319 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.34 156.61 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.32 -56.12 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mt -98.71 91.87 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.87 87.33 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.412 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.6 mp -74.88 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -149.75 168.35 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -125.48 154.1 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -163.89 143.06 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.9 157.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 50.74 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -47.1 111.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 55.5 p-80 -111.26 47.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 170.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 71.83 -153.53 50.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -172.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.3 p30 48.64 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 174.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.7 t80 -107.72 1.43 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -174.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.568 ' CD2' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.95 94.99 45.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.0 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.431 1.753 . . . . 0.0 111.001 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.48 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.32 -155.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.254 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.48 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.1 t -39.37 123.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -38.19 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.469 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -170.51 145.87 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.47 168.16 20.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.639 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -153.76 177.86 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.568 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 57.5 m-85 -147.7 152.31 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -47.95 173.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.095 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 9.2 m120 -91.39 154.49 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.66 -36.93 3.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 16.1 t0 -72.85 144.71 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -113.31 123.25 49.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -97.52 127.76 43.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.653 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 202' ' ' GLU . 17.1 m-85 -112.78 160.97 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 15.4 t0 -87.41 135.15 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 173.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.93 -23.67 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -18.13 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 154.19 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.33 156.26 37.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -144.49 153.71 42.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 107.959 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.677 HG21 ' N ' ' A' ' 192' ' ' GLY . 25.1 p -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 176.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -97.27 -20.46 17.87 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -141.91 -166.23 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.0 p -76.13 74.69 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.1 p -131.85 -47.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.677 ' N ' HG21 ' A' ' 187' ' ' THR . . . -123.11 -131.57 3.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 111.03 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 194' ' ' ASN . 99.5 m -82.61 79.33 9.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 56.3 t-20 -41.18 111.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.17 -56.8 16.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.522 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.3 t80 -47.91 -50.02 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -175.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.947 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -50.19 -38.22 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.923 HG12 ' OE1' ' A' ' 202' ' ' GLU . 61.6 t -79.01 -38.83 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.948 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.94 -47.27 81.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -50.24 -50.86 48.66 Favored 'General case' 0 N--CA 1.515 2.788 0 O-C-N 121.183 -0.948 . . . . 0.0 110.839 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.923 ' OE1' HG12 ' A' ' 198' ' ' VAL . 1.8 mp0 -52.33 -63.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 mp -49.52 -41.71 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.31 -46.97 43.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 80.1 m-70 -64.28 -36.65 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.549 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.9 m -67.94 -34.48 76.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 242' ' ' ILE . 49.2 mt -75.08 -87.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -175.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . 0.593 ' C ' HD23 ' A' ' 209' ' ' LEU . . . -174.55 42.16 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -154.03 139.04 17.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.473 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 6.6 m-85 -116.05 -67.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -169.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -138.94 137.69 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.566 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 t -101.82 166.28 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.66 -20.18 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -78.6 147.87 33.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.1 t -105.06 -1.13 26.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.397 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.85 -5.0 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.495 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.21 151.84 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.948 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -75.99 -14.04 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.44 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.4 tpt -82.42 -7.07 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.548 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 35.2 t80 -74.85 144.09 79.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.96 59.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.8 tp -167.63 135.44 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.2 145.51 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.34 123.88 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.675 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 49.9 m -111.31 169.51 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.081 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 18.9 tp -142.14 151.96 42.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.3 t -49.42 -36.58 22.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.47 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -138.59 106.29 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.23 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.816 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.75 -23.67 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -176.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.402 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.24 -19.72 65.56 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.181 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 5.2 t80 -44.91 154.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -157.57 157.12 33.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.676 HD11 ' CG1' ' A' ' 123' ' ' VAL . 25.2 mt -77.63 145.97 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 92.5 p -70.38 163.9 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.45 -26.61 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -42.14 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.53 -46.23 86.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -48.58 -44.88 37.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.18 -61.89 2.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.877 HD13 ' CE3' ' A' ' 124' ' ' TRP . 1.0 OUTLIER -53.59 -46.42 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.36 -174.017 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -25.51 62.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -175.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 t -73.38 -35.7 65.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.22 -23.11 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.423 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.4 m-85 -139.72 -88.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 92.82 118.7 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 166.35 29.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.88 32.47 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.787 . . . . 0.0 110.954 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.193 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -123.45 173.91 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.356 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -88.9 170.4 11.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 176.647 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.92 124.56 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 111.043 -176.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.05 -2.16 78.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -174.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt 46.57 73.89 0.91 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.327 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.6 13.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 173.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -166.14 146.56 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -176.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -53.46 148.21 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -96.5 -3.94 42.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -174.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -121.7 154.15 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 p -91.36 -32.38 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 178.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -74.97 76.7 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.609 178.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.23 154.14 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -176.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.27 146.73 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 176.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -141.45 168.16 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -165.39 140.87 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 110.33 -174.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -93.48 121.2 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 177.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.9 t -81.36 -40.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -159.6 170.32 21.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -124.19 -176.22 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -177.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.83 142.08 25.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.371 -177.5 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.6 Cg_endo -74.97 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 178.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -160.45 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -178.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -103.07 159.43 29.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.08 165.73 30.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.941 170.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -51.9 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -171.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.32 -36.43 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -178.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.03 -46.44 87.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.7 -52.64 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -178.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -33.15 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -64.15 -43.88 93.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.72 76.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.35 -53.08 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -34.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 172.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 6.0 mtpm? -80.84 -55.86 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -177.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.22 -40.71 64.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -177.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 132' ' ' PHE . 94.1 mt -62.57 -51.06 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -34.37 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -175.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -36.66 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.569 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.724 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.5 m95 -85.73 -33.81 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.21 -24.35 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 177.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.44 -19.11 59.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.631 HG23 HG21 ' A' ' 242' ' ' ILE . 6.6 m -131.32 16.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -172.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.3 p -144.82 159.72 49.45 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 171.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -8.79 20.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 173.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.545 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 79.9 mt -59.59 155.47 15.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -170.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -137.72 134.85 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 173.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 121' ' ' LEU . 82.7 m-85 -112.02 136.84 50.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -172.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.4 m -127.22 147.15 50.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 178.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -90.89 149.44 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -130.71 128.75 41.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 177.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -88.95 -5.99 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -155.7 177.2 11.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 177.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.68 -155.54 43.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.01 105.58 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.66 156.03 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.38 -37.08 85.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 -177.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 mt -116.31 84.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.38 85.57 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.12 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -173.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -142.42 162.93 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -174.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.4 m-85 -122.4 146.7 47.11 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 110.919 177.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -159.98 -179.81 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 178.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 149' ' ' ARG . 14.5 m -136.42 161.78 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -178.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.561 ' CG ' HG23 ' A' ' 148' ' ' VAL . 0.1 OUTLIER 29.3 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 176.161 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 148' ' ' VAL . 10.4 tp10 -96.59 135.59 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 -175.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.738 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 22.9 p-80 -158.69 35.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 173.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 87.03 -166.02 36.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.598 ' CG ' HD11 ' A' ' 174' ' ' ILE . 0.0 OUTLIER 44.17 -159.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.362 176.842 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -124.96 77.01 1.58 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.738 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -159.7 76.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 176.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 95.26 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -168.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 171.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.18 -153.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 178.753 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 157' ' ' PHE . 73.0 t -35.23 108.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.372 177.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.3 mt -79.68 -41.0 27.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 174.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.405 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -169.4 142.71 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 178.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.8 p-80 -130.65 167.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -154.08 158.61 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.76 164.09 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -83.1 154.36 67.05 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 168.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -171.726 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 12.1 m-20 -86.32 173.81 9.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.88 -41.03 2.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.6 t0 -65.22 143.13 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -108.45 123.12 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -104.26 121.0 42.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -173.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.512 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 31.8 m-85 -102.27 161.44 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 176.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -89.07 120.72 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 176.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.62 -18.06 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 177.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -91.62 50.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -175.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.74 167.07 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 173.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -78.41 156.21 29.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 -175.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.452 ' HZ3' HG21 ' A' ' 198' ' ' VAL . 97.4 m95 -140.14 158.58 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.99 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.601 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.1 p -145.43 171.67 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -120.62 26.39 9.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -177.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.04 176.28 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 25.0 p -76.46 81.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.4 t -157.03 -42.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.601 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -101.78 -141.9 12.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 174.004 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.524 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.4 m -90.75 72.57 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.384 166.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.524 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.3 t30 -34.17 110.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -172.537 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.8 tp -52.88 -52.1 58.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -171.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.7 t80 -47.63 -51.49 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.994 -175.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.928 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -48.01 -37.09 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 -179.652 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.452 HG21 ' HZ3' ' A' ' 186' ' ' TRP . 24.0 t -78.7 -42.93 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -50.38 -45.45 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 1.028 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.78 -52.98 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -44.61 -54.27 6.3 Favored 'General case' 0 N--CA 1.513 2.718 0 O-C-N 121.171 -0.956 . . . . 0.0 110.892 171.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.4 mm-40 -51.29 -64.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.382 1.051 . . . . 0.0 110.325 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -47.63 -43.23 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -177.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.08 25.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.4 m-70 -62.96 -42.61 99.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.9 m -60.21 -36.01 76.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.61 -75.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . 0.46 ' O ' HD11 ' A' ' 245' ' ' LEU . . . 171.87 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 177.243 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 209' ' ' LEU . 8.3 mt -115.97 162.44 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.25 177.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 48.3 m-85 -151.6 169.76 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -45.59 124.64 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.618 -166.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 35.5 m -80.51 174.61 11.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.74 -35.01 16.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 177.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.82 148.21 51.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 74.1 p -97.35 -27.83 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.75 159.96 32.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -89.9 -24.3 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 178.89 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.633 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.6 tpt -60.58 -27.09 67.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 110.919 176.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.2 t80 -52.74 147.55 15.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -172.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 134.78 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 -176.131 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.26 151.13 41.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 -177.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.67 146.9 11.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 22.4 t -114.88 -174.8 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -177.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -149.04 157.18 43.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 26.3 m -52.26 -37.68 56.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.13 127.7 19.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -97.98 -20.15 17.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -171.501 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 230' ' ' THR . 1.2 p -75.09 -19.56 59.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.378 -177.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.99 -4.95 22.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 175.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.2 t80 -38.82 152.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.982 -178.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -156.21 157.58 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.724 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.0 mt -77.69 147.32 35.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 15.8 m -74.56 159.86 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.74 -31.8 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -38.73 65.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 178.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -79.47 -46.82 16.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -174.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -60.92 -38.33 79.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -177.43 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -52.66 -45.0 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.5 -51.5 6.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -176.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.2 tp -58.67 -30.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -174.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -34.01 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 23.0 t -60.42 -26.21 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.08 . . . . 0.0 110.002 176.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 208' ' ' GLY . 15.2 mt -80.83 -34.46 33.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.545 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 5.0 m-85 -143.35 -84.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -177.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.27 120.67 3.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.47 26.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.14 31.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.454 1.765 . . . . 0.0 110.922 179.232 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -116.02 136.04 53.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.425 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -64.56 173.38 1.6 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 111.007 172.444 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.08 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.997 178.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.06 -10.93 4.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -173.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.8 mt 65.72 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.91 11.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt 172.96 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CB ' HD21 ' A' ' 97' ' ' LEU . 92.1 m95 -65.24 151.89 45.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -87.49 -4.04 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -173.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 8.6 pttm -127.26 152.72 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.631 1.207 . . . . 0.0 109.372 179.008 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -89.44 -39.35 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.382 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -74.49 79.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.511 HD21 ' CB ' ' A' ' 92' ' ' TRP . 23.4 mt -78.22 159.01 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.361 -176.206 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 150.89 49.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 173.467 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -144.51 169.38 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 178.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 144' ' ' ILE . 6.8 ttt85 -165.85 143.67 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -177.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -102.47 117.0 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 175.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -75.69 -41.03 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -152.43 171.52 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -177.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.94 -170.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -177.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -114.6 143.96 30.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -178.129 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 64.24 6.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.31 -48.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.7 mt -104.26 160.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -178.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.06 170.76 19.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 172.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.48 -59.92 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -173.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -50.77 -35.04 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -178.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.43 -45.54 90.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -175.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.39 -51.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.326 -177.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.49 -33.03 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -63.59 -45.25 91.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.992 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.62 -39.03 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.25 -53.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -44.86 -34.21 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.5 mttp -81.8 -56.34 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -176.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -52.82 -37.98 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -176.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.56 -52.9 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.5 73.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -173.647 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.661 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.23 -33.43 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -178.632 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.698 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.3 m95 -93.2 -32.43 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -176.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.3 -23.83 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 177.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -18.83 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -175.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.594 HG23 HG21 ' A' ' 242' ' ' ILE . 11.1 m -130.06 18.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -173.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.5 p -144.91 159.86 48.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.42 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.57 21.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 175.143 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 246' ' ' TYR . 53.8 mt -57.74 154.35 11.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -172.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 134.38 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 110.443 173.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -109.11 131.45 55.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -172.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.4 t -119.63 161.17 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 177.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -112.42 150.83 30.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.1 mt -128.27 125.9 39.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -77.73 -11.94 59.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 111.021 -177.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.44 171.03 20.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 176.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.16 -146.04 20.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.148 . . . . 0.0 110.968 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.55 148.95 42.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 110.232 -178.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -128.74 155.68 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.21 -39.66 93.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -175.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.49 87.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.1 mmt -90.59 83.63 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' ARG . 2.7 mp -70.23 145.21 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -174.379 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 m -155.39 159.06 39.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.33 139.69 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 174.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -148.47 162.08 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -175.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -130.56 -175.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 165.169 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 148' ' ' VAL . 35.1 ptt85 36.8 -157.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.186 . . . . 0.0 110.299 177.106 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.5 tm-20 -62.15 110.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 174.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 24.5 p-80 -117.99 7.74 12.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.073 . . . . 0.0 109.53 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.92 -94.64 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 t0 -73.69 179.25 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 177.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.6 t80 -83.63 80.52 9.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -176.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.608 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.92 64.71 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 178.396 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.72 23.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 -170.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 9.1 m-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 47.9 -148.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 177.376 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 162' ' ' ASN . 8.8 t -32.34 113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 176.332 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 9.2 mt -92.32 -33.55 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 175.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 179.56 141.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.18 170.33 10.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.056 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.61 164.49 38.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.018 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -122.78 152.43 40.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.827 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -61.55 177.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 170.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.827 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.417 1.746 . . . . 0.0 111.001 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.1 m-80 -90.39 169.77 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.71 -38.14 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 176.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -73.6 149.15 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.321 -177.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -115.6 113.05 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.8 120.68 35.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -178.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.468 ' CD1' ' OE1' ' A' ' 202' ' ' GLU . 30.6 m-85 -88.98 153.67 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.077 172.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.7 t0 -84.4 107.03 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -24.22 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -80.19 50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 177.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 151.07 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 22.9 tt0 -73.82 156.95 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 177.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.405 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 91.7 m95 -141.28 155.05 46.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' N ' ' A' ' 192' ' ' GLY . 37.3 p -140.19 168.45 19.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -93.39 -23.43 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.21 -177.8 4.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -175.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 p -70.92 76.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -178.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.1 p -134.59 -48.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.457 177.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.626 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.58 -130.64 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.947 176.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 54.7 m -86.4 87.35 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 0.723 . . . . 0.0 110.402 171.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 197' ' ' LEU . 14.2 t-20 -46.09 115.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -178.469 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 68.3 tp -67.49 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.22 -175.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -42.49 -51.41 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 -177.588 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.525 ' O ' HD22 ' A' ' 197' ' ' LEU . 1.8 tm? -54.65 -38.14 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -177.102 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.23 -33.77 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.297 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.01 -39.4 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -177.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.64 -47.69 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -54.42 -54.36 41.83 Favored 'General case' 0 N--CA 1.514 2.768 0 O-C-N 121.101 -0.999 . . . . 0.0 110.818 177.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 180' ' ' PHE . 2.4 mt-10 -50.5 -62.34 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 177.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.05 -38.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -177.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.69 26.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.2 m-70 -70.72 -39.27 73.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.6 t -58.61 -39.25 79.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.992 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.65 -70.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -177.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 161.4 49.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 209' ' ' LEU . 10.8 mt -124.14 151.86 43.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 174.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 86' ' ' PHE . 85.3 m-85 -140.51 167.36 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 171.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 210' ' ' PHE . 35.1 m170 -41.91 139.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.634 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 11.1 m -103.48 167.39 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -78.25 -39.4 40.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.06 147.27 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.374 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.6 p -101.52 -11.37 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.11 -23.65 47.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 176.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.04 168.78 17.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -175.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -93.69 -20.56 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 177.678 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.38 67.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 22.4 t80 -43.06 145.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 175.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 -35.67 3.05 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -165.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.21 136.32 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 178.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -46.21 146.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.03 124.15 45.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -177.308 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 85.5 p -132.28 163.49 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.048 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.4 tp -155.18 149.62 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -50.37 -32.79 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -133.93 93.4 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 177.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.47 -21.79 66.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -178.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.3 t -66.86 -11.08 54.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -112.63 -5.69 13.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -176.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.66 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -47.28 146.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.46 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.4 mmt180 -148.28 148.26 30.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 178.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.698 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.6 mt -67.02 133.08 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 174.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 65.5 m -73.23 164.71 26.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 177.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.38 -34.84 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -177.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.45 -47.88 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.295 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.88 -50.45 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -177.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.686 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -64.24 -37.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 -174.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.26 -44.41 61.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.43 6.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 110.964 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.686 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.0 OUTLIER -60.94 -26.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 -174.577 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.35 -39.43 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.9 m -54.8 -29.93 55.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.41 -33.9 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 178.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 130' ' ' LEU . 40.1 m-85 -133.03 -91.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 111.001 -178.249 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.7 118.61 3.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.87 28.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 178.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.11 32.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.231 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -118.36 135.76 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.392 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -84.2 176.74 3.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 170.854 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.94 98.73 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 -173.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.73 -11.81 5.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -170.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt 65.13 110.26 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.1 Cg_endo -75.04 125.1 9.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.051 -177.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 245' ' ' LEU . 0.7 OUTLIER 171.48 123.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -177.051 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.425 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 97.9 m95 -73.97 156.26 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 177.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -87.25 -3.25 59.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -176.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -130.81 155.94 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -90.9 -35.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -76.92 82.23 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD21 ' CG ' ' A' ' 92' ' ' TRP . 14.0 mt -77.6 166.31 23.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -176.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.76 144.61 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 175.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -138.69 171.29 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 175.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -160.82 131.82 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 110.279 -175.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -94.28 114.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 176.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.57 -41.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -174.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -159.79 172.82 16.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.387 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -120.11 -165.49 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.086 -176.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -118.03 143.2 32.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -177.843 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.99 68.91 5.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 178.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.38 -48.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.614 1.196 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -102.11 160.31 26.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 165.03 32.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 171.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -58.76 6.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -170.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 -35.17 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -176.167 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.75 -45.89 87.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -176.107 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.27 -53.94 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -178.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -51.94 -34.78 43.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -59.2 -40.42 85.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -177.682 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.95 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 2.3 t -75.05 -54.87 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 177.426 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -47.13 -29.2 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 174.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 115' ' ' SER . 41.3 mtpt -84.3 -53.7 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -176.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.654 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.46 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 84.4 mt -64.0 -49.96 70.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -177.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -59.65 -37.21 78.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.718 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -57.35 -39.92 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -177.686 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.686 ' CE3' HD13 ' A' ' 242' ' ' ILE . 88.5 m95 -84.21 -31.84 24.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.025 -177.535 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.76 -22.7 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 178.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.2 -19.28 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -175.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.532 HG23 HG21 ' A' ' 242' ' ' ILE . 11.9 m -127.86 18.6 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -173.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 242' ' ' ILE . 61.4 p -144.89 160.43 46.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 169.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -9.03 20.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.35 154.9 40.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -169.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.1 p -129.09 167.97 16.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 169.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.62 134.56 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.5 t -124.24 179.99 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -128.76 152.46 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.7 mt -122.33 123.0 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -60.35 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -152.31 166.68 31.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 89.8 -159.39 27.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.03 142.32 35.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.248 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -115.12 163.03 16.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 176.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -33.9 76.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -177.143 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.4 mt -123.46 88.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.38 101.75 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.081 -179.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.45 142.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -175.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -150.61 169.93 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 20.7 m-85 -128.86 139.95 51.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 176.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 143.88 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 183' ' ' ASP . 1.3 m -93.98 178.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 171.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 41.93 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 174.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.86 138.24 50.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 177.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.0 p-80 -146.23 28.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -167.518 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 136.96 -89.18 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.063 179.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.12 -164.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -178.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.44 74.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.49 70.4 5.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 178.744 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 105.07 2.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 -171.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.739 ' CE1' HG12 ' A' ' 163' ' ' VAL . 3.6 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 173.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.08 -152.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 109.251 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' CE1' ' A' ' 157' ' ' PHE . 65.4 t -35.14 115.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 178.135 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.41 -39.34 12.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 173.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -166.85 142.22 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 173.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.79 162.56 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.591 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.88 145.71 20.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -174.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -99.08 170.65 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -64.85 167.54 9.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 175.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 -177.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -68.84 139.03 55.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.96 -28.19 9.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.57 155.56 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -176.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -139.79 124.26 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 178.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -112.16 139.48 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.572 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 20.9 m-85 -106.6 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 174.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.429 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -91.41 114.09 26.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 173.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.5 -23.86 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.7 t70 -74.31 -26.8 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -175.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.52 152.73 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -175.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -75.95 156.11 34.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -140.23 154.73 46.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 108.007 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.507 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 71.1 p -142.31 170.63 15.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.469 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.55 10.47 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -174.103 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -166.46 -170.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 37.9 p -77.88 70.45 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 110.383 -175.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 16.1 p -131.46 -49.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.464 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.507 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -102.71 -134.0 8.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 177.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 194' ' ' ASN . 42.6 m -94.91 75.44 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.414 169.075 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 193' ' ' THR . 58.9 t30 -34.98 112.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -173.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -55.38 -52.91 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -169.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 229' ' ' LEU . 0.5 OUTLIER -48.9 -45.16 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -174.736 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.818 HD23 HD12 ' A' ' 218' ' ' LEU . 0.9 OUTLIER -52.4 -39.28 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.207 -179.051 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 54.4 t -79.79 -32.96 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -66.37 -42.44 88.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -176.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -67.99 -22.44 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.38 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.34 -57.89 3.6 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 121.185 -0.947 . . . . 0.0 110.78 174.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -54.17 -51.34 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.2 OUTLIER -54.46 -38.93 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -177.526 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.64 -39.34 60.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 -178.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.672 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 35.7 m-70 -66.71 -37.72 85.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.584 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -70.79 -34.95 72.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -178.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.81 -53.55 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -176.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.94 56.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.562 1.164 . . . . 0.0 111.053 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.836 ' CD2' HD12 ' A' ' 242' ' ' ILE . 1.3 pt? -164.81 132.42 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.726 . . . . 0.0 109.301 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 211' ' ' HIS . 33.0 m-85 -109.48 -173.86 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 111.016 -177.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 210' ' ' PHE . 46.9 m170 -35.66 131.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.61 -175.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 61.7 p -86.25 177.14 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 -179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.46 -30.39 23.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.1 150.83 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -178.399 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.2 t -97.82 -19.52 18.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -178.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -11.25 59.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.82 171.79 14.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -94.96 -24.5 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -176.084 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.568 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -70.66 -15.26 62.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 177.013 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.554 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 62.6 t80 -64.07 137.63 97.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 175.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.03 65.43 6.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.9 132.16 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 177.74 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -74.08 149.24 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -172.0 123.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.548 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 68.0 m -97.49 170.38 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -177.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 33.1 tp -130.94 152.86 49.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.1 p -39.66 -56.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -120.2 100.54 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.782 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -176.003 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.404 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.38 -22.43 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.178 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -96.27 -4.93 41.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 3.9 t80 -42.46 155.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -156.15 156.2 33.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.718 HD11 ' CG1' ' A' ' 123' ' ' VAL . 6.1 mt -79.96 148.48 31.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.307 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.3 m -76.19 156.31 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 177.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.18 -31.06 51.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -39.37 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -76.88 -44.07 33.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.213 -174.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -62.88 -35.77 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -178.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -52.24 -49.9 63.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -74.84 -51.46 7.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -175.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.836 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -56.97 -24.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -175.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.3 -36.89 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 110.298 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 91.1 p -56.07 -32.91 64.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.6 mt -87.43 -21.13 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -178.091 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.425 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 32.5 m-85 -141.06 -90.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.13 122.64 2.7 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 176.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.55 28.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.831 . . . . 0.0 111.04 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 123.79 8.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.362 1.243 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 178.201 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -142.15 137.59 31.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -177.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.45 170.18 0.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 173.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.19 4.36 18.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 111.032 177.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.512 HG23 HD23 ' A' ' 245' ' ' LEU . 3.9 mp 53.84 96.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.769 . . . . 0.0 109.284 -177.46 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.583 ' HB3' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -178.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 pttm 178.52 121.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -176.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -66.47 149.6 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -94.46 -2.27 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -176.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -121.45 136.63 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -83.0 -35.78 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -74.39 77.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 178.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.22 149.17 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -177.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.96 151.13 47.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 173.262 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.57 170.97 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -166.19 141.74 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -177.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -100.34 113.67 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 174.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.53 -40.97 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -173.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -154.2 173.27 16.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -177.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.18 -167.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -117.85 144.01 33.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -177.786 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.98 73.4 4.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.264 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.54 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 187' ' ' THR . 22.2 mt -103.21 159.62 28.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.96 167.68 26.52 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 172.514 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -67.89 -55.88 11.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.08 -35.68 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -177.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.558 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.67 -45.96 90.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -176.026 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -52.67 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -177.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.78 -33.69 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -66.39 -42.63 87.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 -179.207 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.1 -39.19 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 10.9 t -71.28 -58.29 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 176.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -43.67 -34.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 176.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 27.2 mttp -83.79 -45.12 13.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -175.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -60.24 -32.97 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 28.7 mt -71.26 -53.57 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -178.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.21 -31.35 70.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -176.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.688 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -56.29 -37.05 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.671 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 84.9 m95 -87.62 -33.29 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -54.63 -23.79 18.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.33 -19.9 49.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -175.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 6.3 m -129.95 17.7 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -173.078 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 63.6 p -144.49 159.16 52.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 110.36 171.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.69 21.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 175.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 246' ' ' TYR . 45.3 mt -60.01 152.19 24.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -171.152 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 134.74 47.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 173.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -107.88 131.3 54.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -173.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.9 t -124.83 163.41 22.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 1.076 . . . . 0.0 109.955 176.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -118.39 150.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.99 133.98 53.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -72.35 -15.7 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -159.49 169.52 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 175.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.44 176.34 41.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 178.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -93.6 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.271 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.55 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 177.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.04 -49.93 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.63 89.86 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.91 90.75 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -178.403 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 144.21 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -177.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -156.21 160.41 39.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -178.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -111.03 140.52 45.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.25 168.17 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 -176.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 6.1 m -139.61 -175.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 174.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 148' ' ' VAL . 7.4 mtp-105 33.61 -142.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 177.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.38 99.8 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 176.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.611 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 38.4 p-80 -100.13 54.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 178.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 58.92 63.45 5.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -177.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.62 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.6 p-10 -174.71 -174.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -172.292 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.6 t80 -113.74 2.5 15.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -175.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -113.49 92.82 24.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.035 176.119 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.52 30.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -175.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.7 m-30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 178.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.12 -153.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 178.304 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 4.4 t -36.41 116.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.422 HD13 HG23 ' A' ' 193' ' ' THR . 4.9 mt -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 176.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.36 146.21 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -126.95 165.94 18.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.555 178.145 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.74 161.59 34.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 174.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.476 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 59.6 m-85 -133.75 140.15 46.8 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 111.069 -171.207 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -53.37 150.01 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 175.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.092 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -171.625 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 18.3 m-20 -88.36 176.62 7.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.51 -39.16 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.41 150.46 36.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 176.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -116.75 112.03 20.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -89.46 123.19 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.67 145.62 27.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 173.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 19.4 t0 -78.92 109.2 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -174.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -23.08 53.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 177.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.45 ' H ' HG12 ' A' ' 148' ' ' VAL . 4.8 t70 -80.5 49.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.13 153.96 16.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.321 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 23.5 tt0 -73.38 158.09 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 177.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.422 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 93.1 m95 -143.56 156.51 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.69 HG21 ' HA3' ' A' ' 192' ' ' GLY . 69.5 p -139.45 163.72 31.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 178.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -92.88 -11.21 34.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 177.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.51 -169.92 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 23.9 p -78.15 70.98 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -176.426 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 9.3 t -143.45 21.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 175.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.69 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 176.91 -133.47 2.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 164' ' ' LEU . 42.4 m -88.84 87.73 7.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 110.422 170.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.494 HD21 HD13 ' A' ' 229' ' ' LEU . 10.3 t-20 -52.15 110.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.374 -176.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.64 -57.4 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -174.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.564 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -52.49 -41.57 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -174.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -37.79 79.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 178.48 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.18 -34.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.31 82.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -178.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.95 -38.65 89.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -66.64 -53.76 30.64 Favored 'General case' 0 N--CA 1.516 2.831 0 O-C-N 121.164 -0.96 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -57.47 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -54.28 -35.87 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.38 -176.01 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.67 43.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.062 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 74.1 m-70 -66.84 -38.53 86.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.546 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.0 t -65.0 -28.86 69.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.19 -105.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -175.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -143.27 12.04 2.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.078 -174.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.516 ' HG ' HD12 ' A' ' 242' ' ' ILE . 14.1 mt -112.96 172.26 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.57 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.0 m-85 -151.34 -63.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.929 178.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.7 m170 -149.04 137.55 21.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.396 1.06 . . . . 0.0 109.682 -176.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -94.02 177.48 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -99.75 -39.85 8.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.243 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.07 157.45 36.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . 0.401 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 70.4 p -94.88 -29.72 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -178.02 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -8.22 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 110.262 -176.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.65 -178.91 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -178.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -94.1 -48.65 6.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -174.615 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 94.3 mmm -67.86 -9.04 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -173.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.8 t80 -44.46 129.46 4.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 174.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 57.17 4.45 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 -176.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 149.29 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 174.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -75.74 145.74 40.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -169.62 122.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.688 177.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 5.1 m -110.23 134.67 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -177.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.7 tp -81.64 150.05 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.01 -44.38 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 110.406 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.74 104.26 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 175.459 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.714 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.53 -18.32 63.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -176.228 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -9.83 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -178.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -114.84 -5.69 12.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -176.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.628 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.77 141.93 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -177.734 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 4.1 mtt-85 -152.63 148.93 27.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 178.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 123' ' ' VAL . 19.0 mt -68.9 132.42 46.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 176.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 67.9 m -73.54 158.53 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 177.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -29.51 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 -178.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -50.96 -50.75 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 176.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.91 -48.58 62.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -173.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.669 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.51 -43.4 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.644 1.215 . . . . 0.0 109.334 -174.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -49.2 -43.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.42 -57.15 4.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.669 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -53.73 -29.42 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 109.253 -173.525 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -77.87 -39.75 42.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 p -60.68 -30.19 69.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.512 HD23 HG23 ' A' ' 89' ' ' ILE . 1.3 mt -89.15 -19.1 25.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.558 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 46.3 m-85 -139.78 -92.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.32 112.85 2.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 172.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.91 32.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.914 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.221 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.542 ' C ' HG23 ' A' ' 85' ' ' THR . 8.3 mtp180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.542 HG23 ' C ' ' A' ' 84' ' ' ARG . 28.1 p -159.22 135.32 8.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.381 -169.403 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.07 169.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.904 176.739 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.574 1.829 . . . . 0.0 111.015 178.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.77 -7.8 6.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -174.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.3 mt 67.28 106.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 178.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.0 130.72 13.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? 175.55 125.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.429 ' CG ' HD21 ' A' ' 97' ' ' LEU . 90.7 m95 -64.65 151.02 45.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.95 -4.86 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -176.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -126.29 157.71 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.7 p -92.98 -38.2 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -75.32 88.16 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.554 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 92' ' ' TRP . 17.9 mt -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.195 . . . . 0.0 109.321 -177.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.9 148.1 51.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 174.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.401 ' CD2' HG11 ' A' ' 117' ' ' VAL . 11.6 p90 -137.57 174.34 10.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 176.029 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -163.59 147.76 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -177.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mm -102.97 117.43 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.36 172.103 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.56 -38.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -160.33 169.37 23.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.69 -177.3 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -175.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -109.36 143.96 28.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -175.291 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.42 6.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.28 -48.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 108' ' ' LEU . 19.2 mt -104.63 157.31 34.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 178.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 168.81 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 173.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -63.82 -63.35 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -173.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -33.62 40.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.558 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.97 -45.81 90.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -177.234 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.47 -52.81 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -178.28 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.56 -34.83 59.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 109.309 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -46.44 89.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.18 -41.57 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 24.1 t -72.16 -55.44 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 178.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -44.73 -33.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 176.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -85.38 -43.2 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -176.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -61.4 -32.35 72.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 40.4 mt -71.54 -52.09 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -178.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.25 -34.6 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -178.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.616 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -54.83 -34.27 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.706 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 61.7 m95 -86.74 -36.44 18.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.034 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.01 -24.42 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.87 -18.87 53.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 242' ' ' ILE . 8.0 m -131.67 17.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -172.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.7 p -145.31 158.85 50.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.4 20.74 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 176.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.45 154.24 42.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -168.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -126.6 166.33 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 171.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.53 158.46 43.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.912 -174.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.3 m -154.78 150.0 27.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -98.27 152.67 19.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -178.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.0 mt -131.87 121.03 23.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 177.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -77.49 -10.45 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.416 1.073 . . . . 0.0 111.042 -177.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -151.0 172.49 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 176.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.16 -160.49 53.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 176.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.9 153.96 21.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 -178.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.27 161.45 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 177.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.19 -39.86 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 17.7 mt -119.93 86.43 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.61 87.38 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.403 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.7 mp -73.24 136.35 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -175.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 p -143.9 164.93 29.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -172.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 15.0 m-85 -126.67 151.26 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 177.139 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.07 143.14 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 175.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.6 m -93.04 173.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 171.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' VAL . 20.7 mmt-85 39.9 -147.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 175.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.11 143.57 31.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.574 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 42.7 p-80 -158.51 30.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.631 -160.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.74 -91.47 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.571 1.17 . . . . 0.0 111.003 -178.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -73.46 -164.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.092 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.72 78.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -178.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.574 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.02 75.48 6.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.417 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.83 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -170.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.4 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 111.0 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.17 -157.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 0.719 . . . . 0.0 109.278 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.0 t -42.66 117.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.76 -42.19 12.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 173.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.82 144.81 6.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.41 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 6.3 p-80 -133.9 161.76 33.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 178.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.12 175.54 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -175.536 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.72 165.83 26.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -176.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.07 163.72 0.66 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 -177.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.87 150.34 49.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -175.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.2 -36.79 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -75.79 158.46 32.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 -177.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.22 125.34 29.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 176.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -103.58 123.95 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.622 -174.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 8.1 m-85 -107.47 163.4 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.904 175.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.462 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -84.55 137.48 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.269 175.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.66 -22.67 14.39 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 177.391 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -78.19 -23.23 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -80.76 152.43 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -177.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -74.73 155.58 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 176.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -143.17 153.05 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 108.04 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.548 HG21 ' N ' ' A' ' 192' ' ' GLY . 29.1 p -138.71 165.76 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.401 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -16.16 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -176.081 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -139.09 -177.08 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -176.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p -71.85 78.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.4 p -137.52 -51.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.548 ' N ' HG21 ' A' ' 187' ' ' THR . . . -110.14 -131.08 6.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 178.173 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 194' ' ' ASN . 23.4 m -88.72 79.08 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.736 . . . . 0.0 110.404 169.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 193' ' ' THR . 26.0 t-20 -39.9 111.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.256 -175.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.47 -50.69 72.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -172.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.519 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 1.3 t80 -50.77 -44.55 58.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.935 -175.071 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 218' ' ' LEU . 1.0 OUTLIER -50.57 -44.44 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.25 176.415 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.84 -35.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -175.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 178.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 1.034 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.58 -49.96 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.385 -176.359 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -53.27 -48.83 67.96 Favored 'General case' 0 N--CA 1.515 2.803 0 O-C-N 121.189 -0.945 . . . . 0.0 110.874 174.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.4 -53.16 57.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.215 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -52.58 -39.27 53.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 63.7 m-70 -73.19 -36.58 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.575 178.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 67.9 m -67.08 -25.06 66.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.044 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.5 -102.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -155.81 23.84 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.585 1.178 . . . . 0.0 110.991 -176.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 210' ' ' PHE . 89.0 mt -118.34 -179.95 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 174.511 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.648 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -156.51 -60.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 177.221 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.9 m170 -149.54 124.54 10.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.615 -178.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 11.2 m -76.93 -94.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.987 -176.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.91 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -176.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.403 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 2.3 t-20 -63.82 149.25 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 178.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.9 p -91.78 -14.38 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -178.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.08 -7.83 50.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.71 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.034 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -93.99 -21.67 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -178.102 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 2.0 mtp -86.75 15.3 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.608 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.7 t80 -82.65 149.32 60.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 171.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.02 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -171.118 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 134.9 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.48 155.37 15.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -174.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.29 178.79 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 109.556 -178.42 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.2 t -165.42 -175.84 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.04 157.53 42.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 11.8 t -57.08 -31.4 65.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -146.45 123.86 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 177.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.732 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -94.75 -19.79 20.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -177.092 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.45 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -60.3 -11.13 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -178.292 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -119.84 -6.32 10.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.3 t80 -43.01 152.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -174.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -156.16 157.23 35.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 173.245 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.706 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.1 mt -72.96 138.58 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 34.2 m -62.86 156.5 23.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 177.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -54.55 -29.28 50.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -38.92 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.73 -43.92 52.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -174.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.25 -37.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.98 -43.13 60.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.9 5.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -176.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.7 tp -57.48 -29.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 -174.031 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.03 -34.87 37.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.4 p -57.14 -29.77 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -178.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -97.09 -18.91 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -176.263 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -141.66 -96.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -176.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.26 117.38 3.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 177.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 168.66 24.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.04 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.428 1.752 . . . . 0.0 110.992 179.213 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 86' ' ' PHE . 81.9 p -110.84 -103.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 176.89 168.7 0.43 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.97 105.88 2.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -178.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.82 -8.9 34.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.937 -177.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.9 mt 48.38 72.0 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.89 17.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 172.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -166.61 134.84 2.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -174.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.33 129.91 40.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 178.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -82.82 -4.24 57.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -174.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -116.04 152.48 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -178.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 p -90.54 -33.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -80.09 87.54 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.7 mt -89.34 161.51 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -176.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 152.07 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 174.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -141.9 172.58 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -164.22 147.45 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -177.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.74 115.78 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 174.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.37 -40.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -175.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -157.25 173.22 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.36 -173.54 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -176.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.27 144.19 29.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.369 -176.39 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 65.78 6.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.977 178.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -160.3 -48.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.99 158.05 32.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 166.98 28.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 170.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.09 -62.33 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -174.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.45 -36.59 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.4 -45.5 92.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 -175.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.21 -53.7 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.46 -40.19 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' LYS . 3.0 t -57.46 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 -178.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.19 -36.69 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -178.14 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.78 -55.17 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 178.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.24 -29.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 173.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 41.9 mtpt -85.39 -54.33 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -176.063 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.582 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.75 -45.3 74.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.376 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.02 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.14 -41.19 96.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -177.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.51 -33.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -177.627 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.664 ' CE3' HD13 ' A' ' 242' ' ' ILE . 91.6 m95 -89.53 -36.4 15.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.338 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -55.97 -23.33 31.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.29 -19.17 56.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.611 HG23 HG21 ' A' ' 242' ' ' ILE . 12.0 m -128.92 18.38 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.286 -174.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 69.1 p -144.72 160.04 48.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 171.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.86 20.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 174.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 246' ' ' TYR . 88.5 mt -56.85 157.1 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -172.199 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 p -139.24 133.81 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 172.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.86 132.17 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.933 -172.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 m -123.1 150.04 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.053 177.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 153.66 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.6 mt -126.71 111.89 14.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -55.99 -25.38 43.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -178.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -159.21 164.53 34.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 175.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.86 -167.0 22.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.1 146.12 24.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 110.352 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.74 43.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.43 -35.17 79.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -176.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.7 mt -120.25 84.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.76 88.54 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.15 143.2 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -174.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -152.76 159.13 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -176.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -111.36 141.28 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 173.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.87 161.49 42.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -175.235 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.518 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.1 m -131.33 -173.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 167.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 35.5 -154.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 177.803 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 104.31 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 173.599 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 21.7 p-80 -101.32 57.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.192 . . . . 0.0 109.626 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.53 66.17 2.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -177.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.649 ' OD2' ' CD2' ' A' ' 151' ' ' HIS . 2.8 p30 176.17 -169.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -170.108 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.04 20.58 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -177.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.636 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -125.06 90.42 51.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 166.694 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.2 36.29 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 6.9 m-30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 175.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.34 -154.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.9 t -38.27 111.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.33 -39.81 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 176.202 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -173.94 141.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 177.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.449 ' CE1' ' HE1' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -124.62 167.13 14.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.502 179.89 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.15 170.6 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 176.098 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -139.56 141.52 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -175.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.08 154.48 19.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 173.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 110.941 -170.581 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.3 m-20 -88.4 176.97 6.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.13 -39.86 3.1 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 151.8 40.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 178.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.781 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -117.83 119.23 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.257 -179.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -99.56 120.56 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -177.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 32.9 m-85 -97.04 146.62 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 174.476 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 10.3 t70 -73.37 104.93 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -178.075 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.54 -26.45 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.46 49.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 178.178 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -167.67 142.35 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -178.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -71.76 154.72 41.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.21 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -135.79 156.19 49.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 107.99 -177.179 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.585 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 15.1 p -141.87 171.94 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 176.165 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -112.29 29.56 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -170.92 -173.27 1.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 34.9 p -86.35 86.44 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.389 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.8 t -155.76 -41.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 177.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.585 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -115.72 -134.82 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 173.052 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 28.3 m -84.55 83.31 8.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 110.367 171.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 198' ' ' VAL . 36.3 t-20 -42.7 103.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.02 -57.81 8.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 -172.169 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.523 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -53.82 -36.34 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 111.01 -173.182 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -63.77 -36.82 85.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 177.715 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 194' ' ' ASN . 67.4 t -76.15 -38.13 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.359 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.15 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.866 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.1 -51.17 71.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . 0.413 ' NE2' ' NE2' ' A' ' 205' ' ' HIS . 30.6 t60 -50.34 -56.31 11.86 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 121.158 -0.964 . . . . 0.0 110.828 174.54 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.781 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.2 mm-40 -50.04 -63.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.69 -44.85 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.07 -46.57 20.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.074 -177.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 83.8 m-70 -67.16 -43.99 80.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.583 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 20.5 m -59.56 -34.01 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -177.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 61.6 mt -73.52 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.6 35.8 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.509 ' HB3' ' SD ' ' A' ' 219' ' ' MET . 6.6 mt -116.45 172.27 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 176.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 29.6 m-85 -159.0 175.62 13.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.92 117.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.63 -172.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.9 m -78.82 168.73 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.91 19.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.42 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 0.5 OUTLIER -66.14 145.97 55.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.337 -179.064 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.3 t -98.54 -8.7 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -178.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -87.26 -14.78 40.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.95 172.66 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -177.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.866 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -99.95 -28.15 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.746 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.5 mtp -70.17 -16.44 63.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 110.982 -178.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.564 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 22.3 t80 -45.57 145.22 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.91 172.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.564 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.01 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 -167.131 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.56 144.47 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.51 161.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -144.19 156.7 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.14 165.83 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 178.044 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 20.6 tp -147.44 153.22 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 22.8 m -45.67 -38.11 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 178.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -134.59 113.29 11.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 177.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.772 HD13 ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.33 -22.8 65.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 -175.434 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.401 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -67.83 -15.85 63.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -178.704 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -105.12 -5.23 20.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -174.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.616 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -54.01 145.16 17.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 7.4 tpp180 -153.77 158.02 40.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 175.079 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.2 mt -72.0 156.85 38.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 178.003 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.5 t -90.61 167.32 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 175.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -59.91 -30.95 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -176.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.45 -39.85 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -75.49 -47.59 26.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -174.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.665 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -63.31 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -176.136 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.51 -44.44 69.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.86 -49.25 7.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -176.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -60.58 -27.24 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -175.441 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.21 -40.65 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 40.8 t -55.73 -30.39 61.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.012 178.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.63 -28.61 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 109.361 178.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.528 ' CE1' HD21 ' A' ' 130' ' ' LEU . 42.0 m-85 -139.54 -89.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -177.298 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.06 115.86 3.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 176.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.98 28.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 164.9 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.196 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -134.43 135.34 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.94 173.677 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.91 102.39 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -173.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.05 -10.8 6.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -170.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp 62.95 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.687 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.04 126.71 10.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -178.04 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 50.0 pttt 172.17 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -177.233 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.451 ' CB ' HD21 ' A' ' 97' ' ' LEU . 86.7 m95 -71.1 161.2 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -92.83 -3.63 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -175.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 97' ' ' LEU . 23.1 pttt -131.96 155.63 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -90.46 -38.93 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 -179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.28 85.89 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 94' ' ' LYS . 36.1 mt -86.14 162.0 18.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -176.441 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.36 154.14 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.445 175.434 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -143.94 173.32 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 175.069 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -161.86 145.89 12.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -176.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -103.27 113.53 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 174.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.07 -41.85 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -174.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -160.16 176.07 12.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.23 -172.97 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -175.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.27 142.85 26.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 -176.793 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 64.42 6.04 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 178.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -158.16 -48.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -98.22 160.65 27.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.243 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.96 162.91 36.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.005 171.062 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -51.08 57.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -172.53 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.56 -38.2 66.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.211 -179.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.32 87.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.229 -175.651 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.7 t -64.86 -49.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -176.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.89 -35.46 71.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 179.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.37 -44.59 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.36 -45.11 54.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 20.1 t -69.35 -54.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.436 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -45.01 -35.67 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 176.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 8.5 mttp -75.07 -53.19 9.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.4 -34.61 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.08 . . . . 0.0 109.277 -178.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 18.2 mt -69.74 -50.75 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -177.413 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -59.65 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -52.47 -35.37 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -178.212 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.72 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 76.0 m95 -90.25 -35.65 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 107.951 -177.477 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -55.43 -22.59 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.59 -18.72 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.234 -174.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.502 HG23 HG21 ' A' ' 242' ' ' ILE . 17.2 m -127.31 19.24 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.326 -174.158 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.2 p -145.2 158.91 50.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 171.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.39 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.571 1.827 . . . . 0.0 110.964 174.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' A' ' 246' ' ' TYR . 29.9 mt -65.49 155.57 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -171.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 p -134.34 134.61 41.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 173.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.47 124.9 50.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -173.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -112.54 143.87 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 154.26 19.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -177.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.5 mt -136.09 154.57 50.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 178.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -115.85 -1.87 12.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 177.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.88 170.15 22.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.3 -169.6 54.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 177.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.0 109.7 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 -178.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.58 164.11 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 178.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.93 -46.4 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.77 90.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.97 97.75 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.38 136.66 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -176.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -149.02 160.81 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -175.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 10.7 m-85 -119.71 148.93 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 174.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.92 141.95 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.95 159.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 170.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 51.32 -164.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 135.29 53.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.4 p-80 -135.97 22.45 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.592 -165.39 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.2 -87.53 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.46 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.44 -168.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 -177.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -94.75 75.05 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -176.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.85 80.69 3.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.573 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.11 39.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.944 -170.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.46 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.996 -173.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.44 -154.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 178.226 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.46 HG12 ' CE1' ' A' ' 157' ' ' PHE . 16.8 t -36.36 115.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.6 -39.86 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.23 146.76 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -136.75 170.52 15.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.61 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.75 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.59 178.01 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.247 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -131.93 145.3 51.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.051 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -54.27 179.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 171.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.193 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 3.0 m120 -88.16 147.1 25.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -177.504 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 95.08 -23.68 32.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 -178.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.27 158.75 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.244 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.69 116.54 21.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 175.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -100.72 123.92 45.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.641 -176.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 28.3 m-85 -112.0 167.33 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 18.7 t0 -88.45 137.22 32.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 175.003 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 178.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.2 -26.56 56.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -177.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.8 152.64 29.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -177.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.78 155.98 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.343 177.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -144.92 152.53 40.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 108.018 179.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.2 p -140.01 -174.9 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 177.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -118.29 16.43 13.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.368 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -155.44 -165.34 1.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.5 p -94.69 49.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.7 t -109.61 -28.69 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 173.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.19 -141.9 4.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 175.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.8 m -86.77 87.51 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.381 173.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -48.64 109.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.95 -54.88 42.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -176.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -48.0 -47.59 33.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -176.185 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -41.97 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.227 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 75.3 t -76.04 -32.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.71 -44.1 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 178.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.634 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.85 -42.41 97.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -178.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -62.74 -51.49 66.95 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 121.14 -0.975 . . . . 0.0 110.814 178.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -55.31 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -31.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -177.267 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.85 -46.33 83.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.956 177.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.0 m-70 -67.37 -36.45 81.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.626 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 t -62.75 -38.94 92.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.919 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.0 -101.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -173.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -151.09 27.17 1.0 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.488 HD12 ' CH2' ' A' ' 124' ' ' TRP . 92.1 mt -117.92 172.47 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 109.329 173.043 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.552 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 11.9 m-85 -153.15 -71.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.947 177.704 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 39.1 m170 -145.25 139.29 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.618 -174.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -113.81 173.42 6.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.066 -176.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.39 9.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 35.5 t30 -56.74 147.39 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 5.3 p -96.67 -17.62 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -177.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.05 -5.49 56.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 179.181 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.18 -177.24 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -102.38 -43.85 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -176.32 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 81.8 mmm -69.5 -9.44 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -175.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.61 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 14.5 t80 -44.56 141.66 2.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 173.198 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -167.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.71 133.77 43.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -46.98 147.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 -177.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -141.94 152.81 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.561 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 46.3 p -159.77 133.95 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.1 tp -95.78 154.04 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.0 p -47.6 -37.38 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 178.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -131.0 106.64 8.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.787 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.256 -178.613 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 230' ' ' THR . 1.6 p -74.67 -10.89 59.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 -178.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -111.34 -5.28 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -49.36 147.45 3.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.871 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.0 mtm180 -155.19 154.25 31.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 176.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.72 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 20.3 mt -71.5 142.89 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 176.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 37.1 t -90.9 168.95 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 176.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -30.77 67.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 110.277 -178.029 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.54 -40.64 92.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.32 -49.38 56.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.371 -177.275 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.771 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.18 -35.33 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -176.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 239' ' ' ILE . 2.5 t-20 -37.13 -44.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -84.25 -47.35 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -176.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -61.55 -17.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -174.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -95.36 -41.81 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 179.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 34.9 t -62.19 -35.94 80.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -178.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.7 mt -86.08 -15.3 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -177.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.434 ' CE1' HD21 ' A' ' 130' ' ' LEU . 13.8 m-85 -151.8 -93.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.434 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.08 125.82 1.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.68 26.5 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.445 1.761 . . . . 0.0 111.018 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.03 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 179.062 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -125.63 -139.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -175.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.819 ' CD2' ' HB2' ' A' ' 169' ' ' ALA . 2.4 m-85 -170.04 171.01 3.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -175.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.08 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.96 -11.65 7.76 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -171.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.51 HG22 ' HG2' ' A' ' 91' ' ' LYS . 7.6 mt 64.07 114.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.02 122.55 7.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.595 1.84 . . . . 0.0 111.001 -179.168 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 89' ' ' ILE . 14.1 ptpt 163.89 124.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -173.247 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -71.37 126.96 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 174.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.87 -13.6 56.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -176.597 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -102.9 158.85 15.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 176.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -94.75 -30.37 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 178.163 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -82.33 98.91 9.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 130' ' ' LEU . 20.1 mt -97.27 151.04 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -177.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.55 146.54 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 172.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -138.85 171.58 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 111.032 177.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -164.88 148.89 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.25 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.54 113.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 172.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.19 -41.87 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -174.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -155.16 168.41 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.52 178.2 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -177.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.11 144.54 28.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -176.67 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.06 6.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -160.61 -48.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.94 158.38 31.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.01 163.59 35.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.962 170.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -56.18 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -172.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.18 -36.14 65.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -176.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.98 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -176.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.438 HG13 HD21 ' A' ' 195' ' ' LEU . 52.0 t -66.01 -53.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -178.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.47 55.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.273 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.0 t -59.12 -47.11 86.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.41 -38.44 63.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -176.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.0 t -78.76 -50.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -47.88 -29.19 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 174.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' SER . 12.1 mttm -90.41 -50.78 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.253 -176.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.06 -45.82 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -178.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.7 mt -55.42 -52.31 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -58.11 -40.14 80.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -176.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.22 -32.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -178.141 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.8 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.6 m95 -91.62 -32.89 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.045 -177.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.77 -23.81 19.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 177.453 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.01 -19.09 52.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -174.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 10.9 m -128.36 17.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -172.255 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.2 p -144.99 160.3 46.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 170.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.68 20.28 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 174.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 246' ' ' TYR . 77.4 mt -65.69 157.09 31.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -170.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.6 p -131.01 157.82 41.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -128.65 134.74 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -175.292 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -125.9 151.82 46.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.006 179.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.3 149.89 21.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.289 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.3 mt -130.66 100.24 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 178.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -54.36 -26.17 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.76 160.43 42.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.339 175.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.44 -175.61 30.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.41 147.96 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 0.712 . . . . 0.0 110.276 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.98 155.54 46.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -62.48 -41.84 99.08 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.4 mt -115.47 83.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.55 87.51 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.087 -178.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.82 134.38 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 -175.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 166.32 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -174.355 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -125.36 155.99 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 177.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.6 142.63 11.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.373 177.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.5 m -105.97 -177.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 174.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 150' ' ' GLU . 9.1 ptm180 40.47 -160.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 176.716 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.442 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 3.9 tm-20 -64.41 112.05 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 176.509 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.2 p-80 -109.77 50.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.576 176.494 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.35 -169.51 6.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -177.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.55 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 1.3 m-20 60.05 178.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 109.356 176.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.1 t80 -86.94 -6.5 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 -173.002 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -117.73 94.5 46.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 179.261 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -176.83 3.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.468 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 173.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 45.47 -153.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.313 178.844 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.468 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -38.29 122.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 176.539 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.47 -36.49 8.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 175.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.54 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 2.0 p-80 -132.55 158.09 43.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 178.875 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -147.27 161.82 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -178.206 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.487 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 46.6 m-85 -136.88 163.87 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -173.068 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.819 ' HB2' ' CD2' ' A' ' 86' ' ' PHE . . . -57.38 176.03 0.24 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.775 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.108 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 175.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . 0.55 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.1 m-80 -86.87 155.67 20.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -176.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.52 -37.32 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.05 -179.131 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 29.0 t0 -75.58 148.67 38.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -119.75 119.71 34.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 22.6 m170 -88.82 127.85 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -176.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 16.4 m-85 -112.0 161.77 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 173.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -87.72 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 174.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.88 -26.88 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.93 -26.77 59.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.295 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.05 156.52 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.2 tt0 -73.62 155.57 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 176.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.404 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 80.7 m95 -146.26 154.36 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.588 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -136.36 174.35 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 175.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -112.14 17.95 19.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 174.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -163.52 -167.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -178.31 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.7 p -89.08 68.0 8.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.409 -176.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.5 t -144.63 21.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 176.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.588 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 178.55 -142.86 5.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.9 m -84.72 71.68 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 110.406 171.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 193' ' ' THR . 24.5 t-20 -39.39 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -176.334 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 113' ' ' VAL . 51.9 tp -56.13 -49.42 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 -171.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.538 ' CD2' HD11 ' A' ' 229' ' ' LEU . 1.2 t80 -52.64 -40.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -175.012 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 218' ' ' LEU . 1.0 OUTLIER -57.56 -39.97 77.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 178.36 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.6 -30.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.4 ' O ' HD13 ' A' ' 203' ' ' ILE . . . -62.65 -48.61 78.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.51 -43.06 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -177.763 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.31 -49.73 76.7 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.124 -0.985 . . . . 0.0 110.833 175.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.3 -61.39 2.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 177.202 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 199' ' ' ALA . 1.5 mp -46.91 -40.82 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.01 -53.62 22.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 69.2 m-70 -61.53 -38.06 86.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 109.653 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.9 t -63.13 -39.46 94.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 -178.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.11 -70.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -178.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.32 45.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.505 HD12 ' CH2' ' A' ' 124' ' ' TRP . 8.5 mt -115.72 163.67 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 175.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 20.5 m-85 -156.32 166.81 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 174.085 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 210' ' ' PHE . 50.6 m170 -38.88 122.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.566 -173.061 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 30.3 t -80.96 -89.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -175.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 171.7 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -176.774 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.07 147.98 50.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 24.6 p -82.27 -27.05 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -178.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -12.62 60.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -177.583 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.716 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -82.12 143.54 31.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -77.87 -11.73 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 174.9 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . 0.485 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.2 tpt -80.47 -13.68 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.181 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.552 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.5 t80 -55.19 142.88 56.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 178.419 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.05 51.93 2.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -178.277 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.11 138.56 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 175.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -71.57 151.8 43.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 177.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -169.72 122.92 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.2 p -96.62 133.96 40.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 227' ' ' THR . 44.9 tp -90.49 137.82 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 178.265 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 226' ' ' LEU . 67.2 p -33.57 -61.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 100.52 7.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 176.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.713 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.58 -18.73 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -177.3 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . 0.43 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -60.2 -11.4 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -177.874 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -116.45 -5.89 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 -178.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.12 150.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -175.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 153.31 31.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.177 . . . . 0.0 110.319 179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.8 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 7.7 mt -77.06 135.72 38.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 176.318 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . 0.716 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 27.1 p -67.18 157.35 33.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 177.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -30.12 40.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -178.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -42.31 83.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -70.44 -44.65 67.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.394 -176.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -63.43 -37.2 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -177.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.34 -44.85 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.523 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.84 7.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -175.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -62.5 -21.58 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -175.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -85.92 -45.65 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 24.1 p -51.09 -33.34 25.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.046 -177.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.13 -32.95 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.741 ' CE2' HD11 ' A' ' 130' ' ' LEU . 28.1 m-85 -129.81 -93.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -178.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.7 117.02 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.167 . . . . 0.0 110.988 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 177.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.1 32.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.042 179.137 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.7 p -127.57 -157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 178.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.584 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -144.66 174.14 3.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -176.007 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.04 82.1 2.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 177.264 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.96 -11.79 4.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.143 . . . . 0.0 111.031 -173.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt 66.94 113.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.596 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.93 128.95 11.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.551 1.817 . . . . 0.0 111.065 178.442 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 pttt 175.59 120.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -178.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -69.65 148.31 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 107.996 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -89.07 -1.38 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -174.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 149.35 47.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 178.334 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -85.9 -29.41 23.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -73.46 80.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 130' ' ' LEU . 67.6 mt -79.64 154.92 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -178.005 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.45 152.03 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 175.173 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -142.71 174.57 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -165.4 152.47 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -178.241 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mm -106.42 115.47 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 172.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.72 -38.91 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -174.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -159.21 168.04 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.565 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -122.42 179.24 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -176.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.81 142.52 24.97 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -177.855 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -75.01 66.84 6.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -161.56 -48.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.6 mt -102.29 157.0 34.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.03 165.52 31.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 170.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -62.94 -61.24 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -175.152 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.94 -37.79 33.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -176.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.98 -45.55 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -175.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.05 -53.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -178.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.86 -33.81 57.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.666 1.229 . . . . 0.0 109.305 -178.229 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -62.72 -47.99 81.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.83 -43.26 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 18.0 t -71.31 -54.32 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -44.48 -35.04 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 7.8 mttm -80.8 -49.63 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -176.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.38 -35.4 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 21.7 mt -66.95 -51.23 57.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -60.93 -38.38 85.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.706 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.05 -35.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.24 -179.232 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.759 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 64.5 m95 -88.48 -36.76 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.039 -177.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.79 -23.18 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.244 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.6 -18.89 50.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -174.504 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.557 HG23 HG21 ' A' ' 242' ' ' ILE . 13.9 m -128.87 19.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -174.365 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.9 p -144.09 158.92 54.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 170.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.14 21.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 175.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 97' ' ' LEU . 37.1 mt -63.56 156.81 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -171.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -134.16 134.82 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 174.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.86 130.6 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -174.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -119.0 149.85 40.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -91.71 151.97 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -178.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.5 mt -132.4 107.63 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 177.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -64.92 -18.4 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -178.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -160.39 166.02 30.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 174.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.28 -173.08 33.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 177.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.82 148.54 24.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.378 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.89 155.43 46.76 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.12 -35.9 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -176.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.55 81.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 178.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.74 88.73 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -178.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.3 133.61 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.8 p -140.58 156.25 46.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.955 -173.604 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -116.06 148.3 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.985 174.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.59 143.54 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.9 m -106.2 164.57 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 175.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 148' ' ' VAL . 33.7 ptt85 43.88 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 175.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.32 110.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 177.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.0 p-80 -111.65 35.26 3.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 171.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 78.72 -176.13 54.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -176.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.41 ' CB ' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER 61.9 -168.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 178.022 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.9 t80 -98.66 -1.98 39.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 -171.161 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.459 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -118.34 96.76 50.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.499 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 175.53 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.503 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 178.416 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.27 -155.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 109.28 177.7 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -36.17 121.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.01 -40.2 9.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 176.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.08 142.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -135.33 161.09 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.858 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -145.48 170.58 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.39 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 73.8 m-85 -143.57 146.66 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -175.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -46.27 167.64 0.13 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 175.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.2 m-20 -88.97 154.77 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -175.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.24 -32.42 4.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 178.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -74.99 162.86 28.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.539 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -131.17 118.45 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 178.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -96.3 122.21 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -174.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 175.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.99 134.33 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 174.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.46 -23.69 13.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.162 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 53.94 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -176.298 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -167.2 168.38 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 172.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.97 155.82 34.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -176.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -144.16 157.55 44.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 177.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.618 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.7 p -140.38 172.63 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.46 176.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -115.89 20.86 14.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -163.79 176.12 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 -178.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.0 p -77.22 87.86 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.392 -177.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.2 t -156.94 -43.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 177.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.618 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.01 -137.54 6.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 173.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 70.6 m -80.93 87.94 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.445 171.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.573 HD21 HD13 ' A' ' 229' ' ' LEU . 15.1 t-20 -51.88 105.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -177.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.18 -51.54 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 -173.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -55.46 -42.66 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -174.65 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . 0.616 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -59.14 -37.35 77.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 178.437 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.99 -32.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.07 87.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.803 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.38 -49.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -52.84 -50.27 64.08 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 121.119 -0.988 . . . . 0.0 110.84 177.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.858 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -50.93 -68.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.428 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . 0.412 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.2 mp -51.62 -33.17 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.72 -48.44 29.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 177.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.758 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.9 m-70 -72.05 -37.2 69.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.55 179.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.7 t -57.36 -42.83 82.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.43 -86.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 -176.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.62 37.97 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . 0.565 HD12 ' CH2' ' A' ' 124' ' ' TRP . 7.0 mt -109.11 164.05 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 175.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.3 m-85 -158.14 164.12 36.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 176.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -37.72 126.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.585 -171.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 28.8 m -91.44 165.89 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -75.71 -33.93 60.34 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 178.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.28 149.27 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.235 178.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 68.1 p -105.43 -12.34 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.69 -4.91 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.5 163.81 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -177.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.4 OUTLIER -80.0 -16.54 54.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 177.125 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.41 -12.31 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 -177.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.533 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.3 t80 -60.72 132.75 91.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.397 1.061 . . . . 0.0 110.999 178.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.97 63.04 5.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 111.005 -179.218 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.0 132.47 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.99 144.93 53.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.14 123.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.663 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.2 p -105.68 134.24 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.1 tp -82.76 152.52 25.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 178.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.6 t -51.77 -27.8 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 178.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.23 106.53 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.213 176.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.68 -18.44 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.143 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 t -62.83 -6.93 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -113.63 -6.78 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -178.128 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.664 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.88 143.8 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -176.435 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . 0.473 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -152.84 153.34 32.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 177.308 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.759 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 6.9 mt -76.0 134.25 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 176.328 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.6 p -67.49 169.88 8.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -63.03 -25.63 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -178.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.12 -41.03 97.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.24 -48.54 56.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -175.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.729 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.43 -41.81 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -176.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -45.81 45.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.89 -47.97 8.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -175.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -64.34 -20.43 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -175.155 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -91.28 -36.74 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 20.3 m -56.49 -33.04 65.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -177.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 90' ' ' PRO . 5.1 mt -94.3 -14.21 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -176.092 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.521 ' CE2' HD11 ' A' ' 130' ' ' LEU . 44.8 m-85 -138.81 -93.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 177.786 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.15 113.72 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 172.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.96 28.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 178.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 179.251 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.2 p -147.36 -75.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -175.233 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 174.16 167.91 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 173.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.99 111.94 3.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.25 -11.69 63.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.1 mt 49.5 71.02 1.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.05 13.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 170.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -159.39 149.96 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -176.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.49 135.44 56.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.019 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.88 -6.61 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -178.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -110.56 151.38 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 p -90.94 -32.46 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.421 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -74.78 76.17 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.54 HD11 HD13 ' A' ' 130' ' ' LEU . 76.7 mt -75.28 156.24 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -177.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.12 156.45 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 175.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -149.78 170.84 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 178.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -165.73 137.43 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -176.156 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.0 mp -100.56 118.21 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 175.06 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.7 -40.81 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.214 -175.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -152.43 172.19 16.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -178.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -128.23 -172.36 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.925 -175.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.76 143.29 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -176.607 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.02 62.87 5.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 178.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.71 -48.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 108' ' ' LEU . 20.7 mt -103.93 158.86 31.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.05 167.37 27.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 172.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -62.6 -62.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 -172.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.07 -35.16 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -175.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.01 -39.1 93.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -176.369 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.44 -51.2 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 -179.263 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.77 -33.09 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -60.75 -46.43 90.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.36 -39.52 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -178.42 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.25 -51.74 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -45.24 -33.03 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.0 mttm -85.97 -53.62 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -175.717 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.13 -41.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -177.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.92 -53.5 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -33.27 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -173.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.579 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.16 -32.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.415 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.609 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 85.2 m95 -86.76 -35.4 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.84 -26.56 36.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.54 -18.37 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 110.254 -176.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.641 HG23 HG21 ' A' ' 242' ' ' ILE . 8.4 m -131.04 17.2 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -173.171 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 77.7 p -144.9 159.71 49.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.59 21.47 Favored 'Trans proline' 0 C--N 1.362 1.261 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 246' ' ' TYR . 48.8 mt -61.56 153.75 26.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -172.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -134.5 134.57 41.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 173.405 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.83 141.9 37.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 111.018 -172.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -131.39 161.15 33.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -109.1 152.38 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.8 mt -131.67 136.75 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.337 178.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -88.89 -9.01 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -155.12 170.82 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 177.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.26 -169.4 49.61 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 177.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.69 106.81 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 110.304 -178.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.52 163.18 26.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -43.38 97.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -178.405 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.6 mt -113.74 88.64 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.17 92.15 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.92 146.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -178.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 m -154.07 169.19 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -176.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 19.0 m-85 -127.31 149.55 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 176.237 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.03 146.31 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 183' ' ' ASP . 4.3 m -105.66 153.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 176.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 45.6 -163.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 178.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.45 122.8 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 42.3 p-80 -131.87 37.53 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -171.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 104.67 -58.48 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.577 1.173 . . . . 0.0 110.987 172.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.484 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.4 p30 -73.6 175.34 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.743 . . . . 0.0 109.283 -173.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.8 t80 -83.43 -0.37 49.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -174.093 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.48 95.32 22.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 173.433 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -170.63 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.429 1.752 . . . . 0.0 110.958 -177.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.195 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.44 -161.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 0.794 . . . . 0.0 109.377 178.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 157' ' ' PHE . 19.3 t -44.87 120.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 12.8 mt -88.84 -42.04 12.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.95 139.7 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 177.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 1.7 p-80 -130.97 163.69 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 -176.024 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.884 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -155.35 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.444 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER -142.95 145.07 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -176.805 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -50.54 173.91 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 173.838 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.945 -176.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 4.2 m-20 -88.64 157.1 18.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -176.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.87 -27.33 8.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 165.78 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 0.702 . . . . 0.0 109.356 -177.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.553 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -136.56 122.22 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -106.4 121.96 45.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.561 -175.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 30.8 m-85 -103.84 167.77 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 174.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.34 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -12.51 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.367 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 148' ' ' VAL . 0.3 OUTLIER -92.15 23.93 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -177.489 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -143.04 156.77 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.239 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.0 tt0 -73.47 156.25 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.423 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 87.4 m95 -143.51 155.73 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 107.995 177.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.524 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 0.1 OUTLIER -145.92 169.66 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 176.583 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 8.18 44.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 178.564 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.64 -164.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.7 p -96.22 57.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -176.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.7 t -124.8 10.59 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 173.234 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.524 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -170.52 -143.12 3.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 m -83.76 93.98 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 170.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 194' ' ' ASN . . . . . 0.548 HD21 HD13 ' A' ' 229' ' ' LEU . 10.9 t-20 -54.14 109.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -176.628 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.4 -57.73 6.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -173.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 196' ' ' PHE . . . . . 0.589 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -52.09 -46.4 65.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 111.06 -174.047 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -35.77 81.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -177.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.66 -31.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -58.49 -39.64 80.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -178.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 200' ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' ' 120' ' ' ALA . . . -60.71 -47.67 85.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.31 -49.54 74.02 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 121.12 -0.988 . . . . 0.0 110.898 177.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 202' ' ' GLU . . . . . 0.884 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -52.33 -61.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 177.713 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.08 -35.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -174.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.11 -43.99 83.54 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 178.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 205' ' ' HIS . . . . . 0.881 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 44.2 m-70 -65.04 -35.26 80.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.593 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.3 m -71.45 -31.44 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -177.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.56 -99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . 0.418 ' O ' HD11 ' A' ' 245' ' ' LEU . . . -154.13 26.53 0.71 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -175.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.91 169.29 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 173.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 210' ' ' PHE . . . . . 0.629 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.2 m-85 -146.01 -57.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 172.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 41.4 m170 -149.23 123.51 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -178.097 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 79.6 p -78.94 -105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -177.291 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -179.55 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -176.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.7 149.9 29.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 215' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 75.6 p -86.56 -27.59 23.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -176.621 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.36 -3.31 58.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -176.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.97 -153.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -126.99 -50.2 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -174.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.3 mmm -66.04 -10.72 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -178.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . 0.521 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.8 t80 -45.75 133.21 6.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.916 174.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 221' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.23 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 109.305 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.5 144.1 54.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -145.04 123.96 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 -177.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 78.5 p -107.41 177.32 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 178.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.5 tp -155.25 146.17 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -51.14 -32.88 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.56 108.76 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 177.076 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.24 -18.03 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.222 -178.046 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -8.79 3.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.46 -6.02 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -176.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -55.89 143.27 32.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 111.03 -177.735 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -156.91 147.95 21.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 234' ' ' LEU . . . . . 0.609 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 40.2 mt -68.5 125.25 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 174.309 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 59.4 m -70.16 162.44 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.02 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.11 -28.51 40.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.31 -41.96 98.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.46 -47.99 76.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -178.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -67.91 -36.31 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -175.036 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -49.23 -44.67 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.48 3.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -177.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.6 tp -53.91 -44.77 62.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 109.335 -173.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -71.63 -26.52 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -176.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 37.2 t -68.94 -29.15 67.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 177.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 245' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 208' ' ' GLY . 1.0 OUTLIER -80.33 -28.34 38.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 176.217 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 246' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 130' ' ' LEU . 37.5 m-85 -142.0 -90.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -176.339 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.48 119.16 3.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 177.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.22 27.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.45 7.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 178.223 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.748 ' N ' ' HG ' ' A' ' 212' ' ' SER . 33.3 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.528 0.204 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -156.97 179.19 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.7 p -116.86 -126.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.643 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 178.28 170.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -175.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.96 85.21 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.58 1.832 . . . . 0.0 111.008 177.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.4 -7.64 5.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.1 mt 67.15 115.96 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.476 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -75.0 129.48 12.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.2 pttp 176.91 123.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -74.47 149.82 40.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -84.59 -4.4 58.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -134.05 148.23 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.1 p -85.87 -34.77 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.83 85.36 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.74 162.27 18.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 150.38 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.3 p90 -143.49 169.98 16.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -166.04 138.09 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.45 114.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.3 t -73.82 -40.52 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -147.48 163.54 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.47 -172.68 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.75 143.2 28.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 -178.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.0 62.42 5.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.75 -48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.9 mt -103.77 159.91 27.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.11 25.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 171.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.74 -34.47 52.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.88 -45.34 86.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.35 -52.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -53.72 -33.44 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -42.25 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.1 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 25.4 t -68.79 -55.1 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.89 -34.8 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.98 -50.86 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.24 -41.82 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 25.4 mt -61.62 -53.05 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -57.34 -40.45 78.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -52.29 -35.35 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.672 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.6 m95 -93.22 -30.79 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.11 -23.46 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.45 -19.36 53.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 242' ' ' ILE . 6.5 m -129.73 17.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -171.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -145.92 160.54 43.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 168.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.14 20.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 111.011 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' A' ' 246' ' ' TYR . 86.3 mt -60.34 155.04 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -170.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.7 p -132.94 164.58 26.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -136.26 157.74 46.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -173.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -154.15 145.38 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -96.29 148.81 22.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.4 mt -125.74 111.15 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -55.48 -25.5 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -155.02 160.23 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.14 -172.44 17.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -105.77 102.9 12.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.343 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.81 161.95 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.25 -46.89 81.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.47 88.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.4 mtt -91.14 87.38 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.19 123.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -142.99 125.3 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 4.8 m-30 -85.04 160.87 19.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.81 141.51 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.2 m -96.43 164.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 173.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 41.35 -149.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.94 141.78 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.575 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 52.3 p-80 -156.66 48.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 84.63 179.93 51.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 46.04 -160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.57 75.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.575 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.31 67.59 5.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 176.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.72 2.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -168.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.467 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.5 m-85 -52.39 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.23 103.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 57.17 -171.76 2.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 110.97 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 67.89 -165.67 44.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.046 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 51.34 -152.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.467 HG12 ' CE1' ' A' ' 157' ' ' PHE . 41.0 t -37.08 116.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.592 HD21 ' H65' ' A' ' 256' ' ' INH . 9.6 mt -89.72 -40.1 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 141.01 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -127.55 161.03 29.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.67 155.64 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -111.16 167.43 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.29 168.69 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 176.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -74.96 145.42 31.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.03 -178.63 29.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.64 41.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 72.51 -132.79 18.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 173.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -32.09 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -69.69 146.47 51.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.54 -30.86 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.93 167.84 21.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.76 . . . . 0.0 109.332 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.36 131.05 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 3.8 m170 -116.1 134.8 54.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.9 m-85 -102.71 -178.06 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -99.86 111.38 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.72 -17.79 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.42 ' N ' HG12 ' A' ' 148' ' ' VAL . 12.9 t0 -89.74 49.91 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.51 151.12 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -74.24 154.72 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -142.85 155.88 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 -176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.565 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 24.4 p -144.61 172.53 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -112.87 19.45 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.32 -179.79 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.2 p -75.21 84.34 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.7 t -156.58 -43.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.565 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.4 -135.4 8.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 173.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 194' ' ' ASN . 91.9 m -99.56 78.63 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.387 167.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 229' ' ' LEU . 16.0 t-20 -33.77 115.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -173.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.36 -58.41 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.46 -46.56 26.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.603 ' CD2' HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -53.78 -40.99 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.28 -30.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -70.5 -38.5 74.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.863 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.32 -22.76 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -76.41 -59.13 2.9 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 121.132 -0.98 . . . . 0.0 110.824 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -52.81 -50.27 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.476 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -53.81 -36.4 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -178.185 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.8 -44.45 70.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 43.9 m-70 -61.79 -38.82 89.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.645 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 41.6 m -68.54 -36.29 78.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.11 -48.74 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 134.21 56.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.862 HD22 HD12 ' A' ' 242' ' ' ILE . 1.5 pt? -163.24 145.86 10.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 171.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 211' ' ' HIS . 26.8 m-85 -120.0 -173.36 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 221' ' ' PRO . 49.0 m170 -40.03 138.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.578 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.748 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -108.03 176.4 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -178.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -103.49 56.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 5.8 t-20 -154.82 145.91 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.5 t -90.12 -25.99 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.93 -14.12 59.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.92 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -15.65 30.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -177.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.601 ' N ' HD23 ' A' ' 218' ' ' LEU . 91.7 mmm -80.05 -8.81 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.1 t80 -58.9 145.0 80.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.04 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.09 134.46 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -53.64 143.07 21.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -144.35 124.22 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 6.5 m -117.62 177.33 4.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.68 149.68 33.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.9 t -47.28 -35.73 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -142.52 98.07 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.17 -18.43 65.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -8.22 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.5 mmt-85 -116.34 -6.09 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.674 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -44.57 152.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -175.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -157.21 156.47 32.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.742 HD11 ' CG1' ' A' ' 123' ' ' VAL . 7.5 mt -78.97 142.18 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 159.03 31.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -54.28 -30.24 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -44.04 83.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -50.78 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.811 HG23 ' OE1' ' A' ' 243' ' ' GLN . 2.1 mp -57.86 -38.94 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 239' ' ' ILE . 49.7 t-20 -38.34 -52.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.15 -49.2 6.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.862 HD12 HD22 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -56.52 -27.36 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 -173.319 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 239' ' ' ILE . 0.0 OUTLIER -93.63 -40.13 10.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 8.0 m -58.79 -25.08 62.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 90' ' ' PRO . 13.6 mt -91.56 -16.37 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.497 ' CE1' HD21 ' A' ' 130' ' ' LEU . 28.6 m-85 -143.72 -94.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 101.52 115.15 3.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.87 28.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.94 32.34 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.2 7.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.32 144.27 55.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -66.36 -53.27 31.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 255' ' ' THR . 0.7 OUTLIER -151.44 138.11 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 254' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.993 -1.479 . . . . 0.0 110.414 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.747 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.573 0.225 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.98 170.31 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.345 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -119.69 -114.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.86 170.38 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -178.145 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.12 81.66 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.51 -9.33 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -173.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' HG2' ' A' ' 91' ' ' LYS . 43.0 mt 66.2 112.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.41 10.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG2' HG22 ' A' ' 89' ' ' ILE . 12.2 ptpt 172.4 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -68.65 152.5 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 108.049 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -87.33 -4.79 59.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.54 143.39 51.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -86.88 -38.19 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -75.09 78.2 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.563 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.48 154.9 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.75 145.6 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 172.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' CD2' HG11 ' A' ' 117' ' ' VAL . 27.2 p90 -138.86 171.98 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -163.26 147.65 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -102.33 118.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -80.88 -40.36 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -152.03 166.33 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.49 156.38 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 1.3 t -79.79 143.14 57.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.9 64.23 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.75 -48.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 108' ' ' LEU . 25.6 mt -101.07 158.13 32.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.03 169.43 22.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -64.77 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -37.98 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.11 -45.47 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -175.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -53.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -34.44 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -57.46 -45.46 84.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.93 -40.19 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 99' ' ' TYR . 4.9 t -77.02 -52.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.369 1.043 . . . . 0.0 109.264 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -46.62 -30.07 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.2 mttm -88.84 -51.56 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.49 -39.74 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 76.7 mt -66.06 -53.13 42.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -35.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.9 -35.96 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -177.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.7 m95 -89.79 -29.7 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.007 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.49 -23.1 24.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.72 -19.61 51.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.553 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -130.61 16.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -171.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.9 p -144.66 159.25 51.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 171.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.76 20.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 246' ' ' TYR . 67.9 mt -59.13 154.56 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -170.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.8 p -135.38 134.48 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.24 145.22 40.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -141.81 146.37 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -95.25 150.96 19.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.9 mt -126.4 100.69 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.347 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -49.62 -30.18 8.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.33 163.36 36.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.357 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.27 -169.71 30.78 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -94.7 147.77 22.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.08 162.15 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.37 -42.79 98.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.92 94.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.2 mmt -90.8 82.31 5.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.09 131.4 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -173.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -153.05 142.22 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.1 m-30 -101.94 160.63 14.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.76 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.5 m -93.95 167.37 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.8 OUTLIER 35.66 -134.91 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 176.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.7 141.61 56.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.614 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 56.7 p-80 -166.41 43.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 176.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.56 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 89.3 179.8 45.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER 43.59 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 177.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 154' ' ' PHE . 2.7 p90 -131.0 80.69 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 111.023 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.614 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.02 77.5 5.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 115.32 4.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.812 . . . . 0.0 111.026 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.755 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.3 m-85 -79.2 132.0 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 157' ' ' PHE . 12.5 p-10 164.83 117.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 146.91 169.5 14.55 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 95.15 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . 91.78 -96.11 2.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.72 -162.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.755 HG12 ' CE1' ' A' ' 157' ' ' PHE . 38.2 t -34.26 112.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 170.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.14 -40.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.9 2.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.59 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 7.4 p-80 -127.65 163.37 24.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -161.6 157.87 25.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -113.53 175.28 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.732 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -68.59 172.85 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.732 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 -174.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 178.37 167.86 36.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 161.99 37.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 75.86 -120.48 5.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -17.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 0.802 . . . . 0.0 109.292 -173.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -85.79 163.12 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.52 -37.73 2.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.7 t0 -72.3 152.46 42.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.302 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -120.45 139.12 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.384 1.052 . . . . 0.0 109.378 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -121.06 136.25 55.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.619 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 30.0 m-85 -109.93 -178.92 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -95.12 134.79 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.86 -20.66 14.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.46 51.56 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -163.98 153.5 14.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 56.8 tp60 -74.38 154.99 38.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.264 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.501 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 95.2 m95 -143.72 156.68 44.6 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.667 HG21 ' HA3' ' A' ' 192' ' ' GLY . 31.7 p -134.56 163.47 29.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -92.05 -24.1 19.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -134.42 -172.03 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.3 p -75.33 69.66 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.447 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.1 p -135.29 13.18 3.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 110.398 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.667 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 175.59 -139.01 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 27.6 m -84.01 87.15 7.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.428 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.65 114.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.84 -51.47 55.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -51.22 -54.39 26.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 -178.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.3 OUTLIER -57.46 -34.87 69.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -177.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.26 -31.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.78 -34.1 74.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -174.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.811 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -75.05 -59.02 2.93 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 121.202 -0.936 . . . . 0.0 110.835 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 203' ' ' ILE . 0.9 OUTLIER -53.23 -49.72 66.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.479 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.5 OUTLIER -54.28 -39.8 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -178.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.86 -41.7 52.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.642 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 87.8 m-70 -64.28 -42.12 96.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.644 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.7 t -64.61 -31.68 73.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.25 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -162.61 34.38 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.936 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 242' ' ' ILE . 13.7 mt -126.75 177.33 6.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 24.4 m-85 -152.74 -68.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.928 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 42.2 m170 -148.1 134.78 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.531 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 7.0 m -91.36 -99.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.459 1.1 . . . . 0.0 110.022 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.81 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.209 -176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.6 148.32 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.8 t -89.71 -21.84 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.55 -13.57 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.93 168.59 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -98.86 -16.63 18.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 177.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 209' ' ' LEU . 0.0 OUTLIER -81.87 -15.34 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -177.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.541 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 31.9 t80 -47.81 140.63 8.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.541 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.96 50.75 2.59 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 2.5 tp -168.04 150.55 5.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.54 149.9 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -158.56 123.12 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 149.66 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.055 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 227' ' ' THR . 46.4 tp -123.52 128.73 50.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 226' ' ' LEU . 27.5 m -34.72 -57.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -98.48 91.23 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -74.03 -18.34 60.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -174.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.409 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -61.98 -7.0 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 -177.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 229' ' ' LEU . 29.7 mtt-85 -114.72 -5.96 12.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -52.35 144.34 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -177.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.489 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 6.4 ttt180 -154.49 155.68 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.7 mt -72.02 133.95 45.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.7 p -70.72 168.73 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -62.08 -27.84 69.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.11 -35.65 67.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -50.8 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.667 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -59.16 -35.11 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.56 -49.0 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.58 -52.86 4.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.58 -46.33 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.227 -174.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -27.7 59.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -174.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -67.55 -38.2 83.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.37 -40.1 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.402 ' CE2' HD11 ' A' ' 130' ' ' LEU . 43.9 m-85 -112.26 -90.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.92 112.81 2.76 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.51 26.83 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 177.86 8.05 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 110.925 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.31 162.43 29.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 42.4 t -151.63 76.95 7.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -75.4 162.9 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.03 -1.462 . . . . 0.0 110.371 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.538 ' H48' HD11 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 34.7 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -64.58 168.01 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -130.41 134.57 47.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.394 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.69 170.8 0.27 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.65 6.72 12.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.6 mt 55.89 96.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.289 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt 172.56 123.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -65.08 156.19 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -94.65 -4.1 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 110.233 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -123.38 150.6 43.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.0 p -89.93 -30.7 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.9 74.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.58 159.13 30.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.251 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.93 149.39 50.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -139.88 173.47 11.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -165.42 146.25 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -101.59 115.96 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.94 -40.48 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -175.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -157.95 171.52 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -123.75 -170.74 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -116.01 143.89 31.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -177.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 67.46 5.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -162.63 -47.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 108' ' ' LEU . 21.4 mt -104.85 158.36 32.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.99 169.01 23.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 171.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.81 -60.27 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -51.12 -35.63 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.58 -45.97 87.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.23 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.61 -51.14 60.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.11 -34.59 63.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -60.78 -46.86 88.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.78 -40.56 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.12 -52.1 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.36 -30.11 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -86.74 -53.46 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.32 -45.49 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.56 -52.62 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.44 -35.3 77.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.36 -34.83 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -178.264 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.5 m95 -87.19 -33.25 19.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.77 -24.25 34.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.44 -18.23 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.63 HG23 HG21 ' A' ' 242' ' ' ILE . 5.9 m -132.88 21.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -171.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.491 ' CG2' HG12 ' A' ' 242' ' ' ILE . 73.0 p -145.81 160.2 44.68 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 171.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.23 21.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 173.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 58.3 mt -58.39 156.27 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -172.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.6 p -137.75 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -106.46 125.49 51.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.2 t -106.25 162.1 13.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.37 146.99 28.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -133.24 136.12 45.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -95.4 -10.54 29.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.11 171.29 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.66 -175.78 45.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.3 104.42 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.48 160.02 26.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -39.47 94.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.4 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.8 mt -117.6 88.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -90.56 90.46 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.39 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -155.2 165.24 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.015 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -119.11 141.61 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -153.44 166.73 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 109.271 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.53 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -134.74 176.61 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 148' ' ' VAL . 19.7 ptp180 33.52 -153.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 33.3 tt0 -59.29 110.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.653 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 26.3 p-80 -120.15 26.5 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.661 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 112.63 38.1 1.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 155' ' ' TYR . 2.1 t0 178.22 -164.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -107.29 64.69 0.64 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.99 64.23 3.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 149' ' ' ARG . 18.3 Cg_endo -75.08 131.08 13.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -170.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.53 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 4.3 m-30 -85.22 -131.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 111.073 171.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 t70 74.89 104.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 147.26 163.37 10.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.37 5.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 110.972 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.35 -130.75 11.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.5 -156.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.3 t -40.42 111.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.1 mt -80.01 -39.86 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.16 143.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.422 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -126.61 171.34 11.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -151.29 163.68 38.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -122.5 150.57 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.834 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -59.01 177.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 171.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.92 154.29 42.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 161.0 -134.76 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.938 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -168.11 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.81 -18.33 61.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -31.87 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -89.75 153.95 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.02 -22.98 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.49 166.38 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.241 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.668 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -133.76 106.61 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -93.66 120.2 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.594 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.46 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 40.7 m-85 -96.99 156.46 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.054 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -78.83 106.52 10.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -76.79 -29.36 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.97 52.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -164.03 146.68 9.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -71.91 154.86 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.223 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -139.93 155.77 47.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.663 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.5 p -138.09 179.5 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -118.32 14.12 13.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -162.36 179.24 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.5 p -79.43 77.89 5.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.6 t -143.42 -42.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.663 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.86 -134.57 5.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 32.6 m -92.21 88.43 6.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 110.389 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -48.83 117.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 199' ' ' ALA . 56.3 tp -69.04 -54.96 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -175.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.2 OUTLIER -51.84 -50.39 60.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.043 -176.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.6 OUTLIER -59.19 -35.21 73.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 t -76.5 -31.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . . . -61.34 -40.17 93.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.3 -45.17 92.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.07 -51.42 66.41 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.668 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 0.3 OUTLIER -51.94 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 177.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.39 -41.81 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.55 -44.96 23.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.9 m-70 -71.58 -39.57 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.613 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.1 t -59.25 -35.5 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 242' ' ' ILE . 67.9 mt -72.59 -67.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -178.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.41 53.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.92 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.5 OUTLIER -153.49 126.92 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.733 . . . . 0.0 109.293 173.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 211' ' ' HIS . 35.3 m-85 -107.52 -176.16 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 210' ' ' PHE . 40.3 m170 -36.68 135.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.62 -173.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 p -92.3 -163.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -130.48 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.69 148.36 14.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 7.1 p -85.02 -23.46 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.396 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.7 -15.49 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.47 158.32 20.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.16 -27.22 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.616 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -66.4 -19.89 65.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 17.4 t80 -44.18 143.18 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 172.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -74.92 -35.61 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -169.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -74.46 131.07 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -65.55 147.13 53.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.3 123.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 83.5 p -119.35 133.66 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 227' ' ' THR . 62.2 tp -82.79 126.71 32.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 226' ' ' LEU . 39.2 m -34.38 -58.49 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.463 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -97.98 90.02 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.78 -18.9 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -173.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -7.97 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 229' ' ' LEU . 18.2 mmm180 -111.51 -6.08 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -54.62 144.99 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 -177.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -155.18 158.87 39.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 176.522 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.603 HD11 ' CG1' ' A' ' 123' ' ' VAL . 20.3 mt -77.68 130.42 36.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 87.4 p -73.75 166.28 23.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -55.76 -31.87 62.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -58.88 -39.2 80.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.86 -45.21 59.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -66.02 -34.68 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -52.54 -45.94 66.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.56 -57.59 4.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.77 HD12 ' CD2' ' A' ' 209' ' ' LEU . 1.2 tp -52.57 -45.62 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.76 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.7 m -71.62 -31.86 67.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.938 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.46 -18.31 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.1 m-85 -146.5 -91.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.908 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.88 119.33 3.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.01 28.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.036 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 123.79 8.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 0.0 111.039 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.63 6.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.6 155.32 40.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 63.5 m -81.22 148.45 63.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.62 141.43 51.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.408 -179.617 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.697 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.407 0.146 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.51 152.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.7 p -131.34 138.63 49.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.6 OUTLIER -55.25 169.79 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 175.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.46 1.768 . . . . 0.0 111.046 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.9 -9.01 5.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 245' ' ' LEU . 65.2 mt 66.44 104.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.378 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.749 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -74.97 130.53 13.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 178.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.3 pttt 177.65 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -62.78 153.92 31.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -88.97 -3.9 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.45 158.69 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 p -90.06 -31.67 17.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -74.68 92.81 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.612 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 130' ' ' LEU . 59.6 mt -96.01 149.54 21.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.06 151.08 42.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 172.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -139.76 171.77 13.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -162.41 148.52 12.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.4 116.34 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.269 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.16 -40.37 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -157.72 172.05 19.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -128.69 -171.2 2.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -111.77 144.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.346 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.96 68.32 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.098 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.22 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -98.83 157.2 34.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.507 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.0 167.28 27.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 170.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -62.55 -63.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.49 -34.25 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.46 -45.82 89.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.31 -52.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.98 -37.54 64.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.946 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.07 -42.21 62.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.391 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.45 -50.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -48.14 -28.05 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -88.62 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.84 -42.65 68.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.86 -50.98 67.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -60.48 -41.42 94.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -51.35 -31.92 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 -178.184 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.78 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 83.1 m95 -88.75 -34.46 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.99 -24.7 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 0.0 110.306 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -19.22 60.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 242' ' ' ILE . 5.6 m -131.5 16.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 -172.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 68.8 p -144.28 158.64 54.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.79 21.49 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 246' ' ' TYR . 70.4 mt -58.36 154.13 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -170.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.82 134.26 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.41 125.02 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 -172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.9 t -104.08 161.92 13.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 110.073 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -106.11 149.72 26.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.277 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 71.6 mt -136.44 144.43 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -109.26 -6.38 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.07 170.36 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -158.22 49.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -104.03 160.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.27 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.48 158.21 44.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -62.17 -37.66 86.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.12 86.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.21 89.2 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.51 143.39 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -152.42 153.29 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.069 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.37 147.93 33.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.18 144.14 19.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.8 156.01 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 169.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 54.04 -170.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.54 137.71 29.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CD2' ' OD1' ' A' ' 153' ' ' ASP . 25.2 p-80 -134.68 47.97 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -174.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.4 67.56 2.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.626 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.5 p-10 -178.04 -173.08 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -171.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.37 3.59 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -118.41 91.91 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 175.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 178.71 6.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.617 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER -136.13 -164.87 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.105 -175.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 1.7 t70 85.67 115.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 173.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 155.07 164.69 13.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 103.46 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.53 -126.74 7.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 52.81 -157.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.617 HG12 ' CE1' ' A' ' 157' ' ' PHE . 58.3 t -36.98 116.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.512 HD11 ' C35' ' A' ' 256' ' ' INH . 9.9 mt -89.72 -41.34 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.381 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.01 143.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.442 ' O ' ' OE1' ' A' ' 202' ' ' GLU . 1.7 p-80 -134.35 165.85 24.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.67 171.17 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.57 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 54.7 m-85 -143.33 164.24 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -173.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -52.37 159.8 1.49 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.239 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.407 ' HA ' ' CA ' ' A' ' 176' ' ' GLY . 18.3 Cg_endo -75.05 141.81 26.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.33 -174.73 42.18 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 101.31 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 94.01 -108.33 3.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.394 1.059 . . . . 0.0 110.97 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -31.67 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -171.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -86.72 146.44 26.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 170' ' ' PRO . . . 94.24 -32.99 5.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 148.61 39.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.772 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -114.05 130.61 56.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -110.25 121.06 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.622 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.511 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 44.8 m-85 -103.65 168.86 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.36 132.7 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 -18.47 17.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 176.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.35 49.19 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.82 145.87 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -139.16 158.0 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.602 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 49.5 p -141.85 171.81 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.471 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -111.29 14.53 21.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -179.31 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.9 p -82.8 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.8 t -114.22 -16.58 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 110.432 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.38 -146.14 5.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 194' ' ' ASN . 96.0 m -88.45 74.69 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 167.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.4 t30 -34.81 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 199' ' ' ALA . 52.0 tp -72.68 -50.3 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -53.36 -48.0 68.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -177.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.857 HD21 ' C13' ' A' ' 256' ' ' INH . 0.5 OUTLIER -62.07 -34.96 77.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 194' ' ' ASN . 49.1 t -76.23 -32.13 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -59.48 -39.18 82.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.722 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -56.3 -55.37 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . 0.453 ' NE2' ' H37' ' A' ' 256' ' ' INH . 35.5 t60 -46.44 -55.48 7.37 Favored 'General case' 0 N--CA 1.513 2.709 0 O-C-N 121.119 -0.988 . . . . 0.0 110.874 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.772 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.1 mm-40 -50.07 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.403 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.5 mp -48.73 -41.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -176.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.11 -49.5 30.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.6 m-70 -62.63 -37.96 88.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 0.729 . . . . 0.0 109.598 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.2 t -67.42 -33.44 75.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.9 mt -77.36 -36.75 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.63 -9.81 4.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 32.1 m-85 -122.52 170.5 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 210' ' ' PHE . 49.1 m170 -42.58 130.74 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.538 -168.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 88.2 p -87.64 176.62 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.08 148.85 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 61.9 p -101.23 -22.49 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.19 -12.2 58.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.67 159.89 32.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -83.78 -21.3 32.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 178.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.96 -21.32 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.507 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.7 t80 -54.43 133.06 62.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.06 62.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 133.87 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . 0.452 ' HA ' ' C12' ' A' ' 256' ' ' INH . 78.2 t80 -53.87 151.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -156.9 123.76 5.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.6 t -116.18 175.59 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 227' ' ' THR . 20.6 tp -155.83 139.65 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 226' ' ' LEU . 71.1 p -34.69 -63.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.401 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.3 122.92 45.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -71.91 -18.09 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -174.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -6.32 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 229' ' ' LEU . 66.9 mtt-85 -106.41 -6.03 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -62.43 142.76 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -177.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -158.68 147.52 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.246 176.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.78 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 18.5 mt -67.44 122.41 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.4 p -61.86 171.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -31.8 69.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -56.99 -47.3 81.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.69 -50.45 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.678 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.9 mp -64.14 -37.42 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.27 -44.97 68.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.74 -53.14 4.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.49 -45.13 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 -174.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -26.57 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.8 m -72.73 -28.57 62.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.971 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 90' ' ' PRO . 8.5 mt -81.7 -17.7 47.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 130' ' ' LEU . 45.2 m-85 -143.12 -87.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 111.043 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.97 110.86 3.1 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 171.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 110.966 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.86 34.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.48 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -71.18 154.92 41.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.491 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.6 OUTLIER 169.61 -55.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -178.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -75.11 144.46 29.93 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.552 1.817 . . . . 0.0 110.979 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.2 77.41 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.425 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.857 ' C13' HD21 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.473 0.178 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -148.18 171.48 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -140.9 135.24 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.798 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -55.39 172.07 0.3 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 110.969 173.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 171.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.74 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 mt 67.04 98.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.264 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.17 16.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.978 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE3' HD23 ' A' ' 245' ' ' LEU . 15.4 ptpt 180.0 121.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.402 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 92.0 m95 -58.13 143.11 45.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.005 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -88.07 0.37 56.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.19 142.72 50.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -84.89 -33.76 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -74.24 88.93 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.573 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.96 156.43 16.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.83 152.28 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 174.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -146.05 170.94 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -165.44 143.5 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -101.41 115.36 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 174.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.02 -41.29 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -152.62 171.27 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -124.58 -178.49 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.19 143.19 27.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.974 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -48.86 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.6 157.43 33.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.95 164.91 32.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 110.958 171.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -60.57 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.16 -36.12 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.69 -46.23 86.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.356 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.47 -54.46 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.526 ' OD1' HD13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -51.14 -32.97 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.5 t -58.94 -45.3 90.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.83 -37.97 64.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 35.4 t -74.96 -56.43 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.48 -30.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 22.1 mttm -89.7 -48.9 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -175.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.6 -42.59 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 59.3 mt -60.43 -55.13 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.37 -34.93 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.709 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.72 -33.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.792 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 87.6 m95 -91.84 -31.5 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 108.079 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.43 -24.32 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.72 -19.3 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.579 HG23 HG21 ' A' ' 242' ' ' ILE . 10.5 m -129.57 17.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.3 p -144.65 159.78 49.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 170.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.57 20.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 174.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 246' ' ' TYR . 77.1 mt -63.8 157.41 24.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -169.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 p -134.32 161.84 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -134.34 136.48 43.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -124.55 155.2 39.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.956 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.84 143.09 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.314 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.94 105.85 8.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -48.22 -31.27 5.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 111.069 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.31 148.98 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 172.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.02 -162.63 28.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.61 48.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.0 148.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -62.81 -51.55 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mt -101.71 92.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 11.9 mtp -92.66 86.75 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.99 137.1 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m -146.54 161.81 39.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.391 1.057 . . . . 0.0 109.967 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -119.25 149.72 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.75 144.08 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.16 166.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 43.97 -164.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -53.67 121.65 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -119.82 48.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.633 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.6 61.79 6.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.562 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.4 OUTLIER -174.53 177.24 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 0.716 . . . . 0.0 109.309 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.3 t80 -83.22 -4.32 58.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 -170.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.42 89.16 20.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 177.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.3 4.86 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.5 OUTLIER -58.53 155.93 11.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 110.959 173.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.77 -71.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 171.53 -126.23 1.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.95 18.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 110.971 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 76.88 -152.19 40.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.36 -154.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.474 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 157' ' ' PHE . 76.6 t -38.05 121.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.566 HD11 ' H69' ' A' ' 256' ' ' INH . 4.5 mt -95.38 -39.74 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 172.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.68 143.29 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -130.11 164.67 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.599 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.59 169.28 24.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -173.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -144.8 144.18 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -48.29 171.51 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -75.01 157.27 42.83 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.24 -124.56 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.562 1.164 . . . . 0.0 111.049 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.44 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.943 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.38 -17.36 64.04 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.562 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.4 OUTLIER -84.06 -30.73 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 178.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.2 m-20 -85.66 151.85 23.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.77 -37.56 3.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -68.7 158.64 33.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.342 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.66 124.36 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -100.85 123.1 44.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.568 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 202' ' ' GLU . 16.7 m-85 -102.69 170.46 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -96.65 132.32 42.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -24.57 14.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.8 50.22 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 186' ' ' TRP . 18.2 tp10 -162.35 143.62 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.97 154.18 42.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 184' ' ' GLU . 94.5 m95 -141.9 155.81 45.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.611 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.8 p -140.08 168.74 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.409 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -111.32 29.24 7.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.375 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.61 176.18 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.3 p -74.56 71.72 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.396 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 37.7 p -133.1 -54.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.42 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.611 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -110.58 -134.68 6.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.4 m -79.38 77.05 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -41.85 105.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.76 -55.98 27.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.457 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -47.3 -48.44 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -177.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 1.006 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.72 -38.16 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -178.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.78 -32.95 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -67.03 -45.39 77.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.988 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.83 -24.25 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.08 -58.72 3.12 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 121.079 -1.013 . . . . 0.0 110.898 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.9 OUTLIER -53.15 -49.44 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 -179.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.42 HD12 ' OE1' ' A' ' 202' ' ' GLU . 0.4 OUTLIER -52.78 -38.11 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.13 71.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 75.7 m-70 -60.45 -38.85 85.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.741 . . . . 0.0 109.612 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 70.1 m -71.9 -30.92 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.87 -95.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -159.42 37.06 0.48 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.445 1.091 . . . . 0.0 110.949 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.02 178.11 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.616 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 13.5 m-85 -154.29 -63.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.957 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -151.25 131.04 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 23.3 m -96.33 172.38 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.06 -37.51 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.25 147.84 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.4 t -95.55 -21.95 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.34 -8.26 59.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.86 160.37 31.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.006 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -87.42 -13.46 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 175.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.452 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -83.66 -6.61 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 7.1 t80 -66.02 148.12 98.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.0 Cg_endo -75.03 1.64 7.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.43 1.753 . . . . 0.0 110.966 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.68 139.72 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -58.76 154.96 13.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 170.31 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.546 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.3 t -154.73 172.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.52 151.21 29.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 48.3 m -47.29 -51.93 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.27 122.6 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.99 -19.12 62.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -177.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.419 ' N ' HD23 ' A' ' 229' ' ' LEU . 17.2 p -61.89 -9.2 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.41 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -113.1 -6.88 13.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.68 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.6 t80 -52.75 153.0 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.2 156.05 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.792 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 26.5 mt -77.66 137.28 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.5 m -69.58 155.23 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -34.02 58.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -40.19 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.9 -50.39 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.71 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -58.12 -38.61 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.08 -44.72 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.384 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.88 -50.96 6.1 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.71 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.96 -21.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.256 -175.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -87.27 -44.31 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.0 p -52.51 -33.89 47.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.549 HD23 ' HE3' ' A' ' 91' ' ' LYS . 1.3 mt -83.68 -31.23 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 130' ' ' LEU . 36.2 m-85 -133.7 -94.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.99 119.38 3.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.09 31.93 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.78 8.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -71.75 158.93 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 50.3 m -61.49 120.02 52.08 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 73.75 4.16 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.447 1.762 . . . . 0.0 111.062 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -19.89 57.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.989 -1.482 . . . . 0.0 110.406 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.826 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.9 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.504 0.192 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -141.6 161.14 38.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.7 p -139.85 135.32 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.458 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.4 OUTLIER -59.66 170.8 0.97 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 175.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.19 -7.01 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.405 HG23 HD23 ' A' ' 245' ' ' LEU . 67.1 mt 66.58 106.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.798 . . . . 0.0 109.265 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.618 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.92 130.94 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 pttp 177.61 123.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -61.46 159.25 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -89.86 -4.11 57.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.216 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -133.89 160.2 38.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 p -96.23 -33.42 12.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.416 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 76.22 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.671 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.43 157.44 28.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 150.02 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -143.09 172.07 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -165.11 144.75 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.95 119.77 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -79.78 -39.8 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -162.4 173.43 14.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 -172.17 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 110.987 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.91 143.36 28.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.93 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.26 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 108' ' ' LEU . 17.8 mt -97.52 156.87 35.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.97 163.24 35.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 110.963 170.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.1 -59.03 5.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.86 -36.74 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.16 -45.96 89.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -176.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.51 -52.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.242 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.64 -34.65 59.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.2 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.49 -51.51 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -43.82 -35.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 13.6 mttp -82.84 -52.23 6.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -176.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.88 -42.83 69.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.95 -54.63 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.3 69.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -172.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.73 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -56.94 -32.47 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.0 m95 -87.93 -31.95 19.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.91 -25.96 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.35 -19.96 55.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.193 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.606 HG23 HG21 ' A' ' 242' ' ' ILE . 6.0 m -131.23 16.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.7 p -144.32 160.1 49.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 171.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.42 20.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 246' ' ' TYR . 81.5 mt -58.38 153.94 14.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -171.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -137.36 134.5 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.41 136.95 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.5 t -125.59 160.96 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.02 145.9 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.4 mt -126.68 139.27 53.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -98.01 -3.73 37.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.55 167.07 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.88 -168.46 54.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.41 1.068 . . . . 0.0 110.996 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.01 112.42 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 110.305 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.99 160.77 27.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.9 -35.48 80.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.21 84.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.08 88.58 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.53 142.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -151.73 164.41 37.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.9 m-85 -121.69 143.72 49.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 175.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.2 143.54 12.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.8 170.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 41.97 -160.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.15 141.68 58.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 27.5 p-80 -153.78 36.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -164.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 126.98 -90.98 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 2.4 t0 -71.47 -165.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.01 75.21 2.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.588 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.64 71.9 4.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.559 1.82 . . . . 0.0 111.014 -170.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.51 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -42.87 138.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 171.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.5 -62.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 160.9 -123.17 1.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.96 14.83 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.24 -158.01 45.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.57 -156.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 0.815 . . . . 0.0 109.311 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.51 HG12 ' CE1' ' A' ' 157' ' ' PHE . 2.6 t -41.12 115.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.449 HD21 ' H69' ' A' ' 256' ' ' INH . 4.6 mt -84.83 -40.22 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -167.12 142.52 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -130.55 160.27 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.19 166.44 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -119.35 160.24 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.941 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -66.02 177.31 0.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 169.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.99 133.73 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -168.22 -132.36 1.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.573 1.17 . . . . 0.0 110.948 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -171.87 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -66.89 -14.91 63.97 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -171.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.81 -26.68 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.275 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.7 m120 -88.26 169.32 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.02 -38.0 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 156.62 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.43 121.43 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 4.2 m170 -101.63 123.98 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.56 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 15.6 m-85 -101.89 162.8 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.9 135.33 35.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -23.2 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.399 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.78 49.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -161.51 150.98 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 9.1 tp-100 -76.05 155.06 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.7 m95 -143.86 154.55 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.652 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.0 p -138.86 172.6 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -104.02 -17.64 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.25 -177.07 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 229' ' ' LEU . 1.6 p -71.66 78.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.4 p -137.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.376 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.652 ' N ' HG21 ' A' ' 187' ' ' THR . . . -122.11 -132.97 4.19 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.7 m -80.94 76.21 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 0.802 . . . . 0.0 110.359 171.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 193' ' ' THR . 55.9 t-20 -38.79 107.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.12 -56.42 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -172.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 3.5 t80 -49.75 -46.23 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -52.74 -38.95 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 82.4 t -79.21 -35.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.03 79.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 1.063 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.5 -49.67 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -49.61 -53.12 25.79 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.068 -1.02 . . . . 0.0 110.762 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 7.9 mm-40 -52.93 -61.73 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.8 -39.84 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.2 -40.86 37.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 59.0 m-70 -66.96 -40.84 87.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 0.808 . . . . 0.0 109.605 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 21.5 m -64.26 -28.72 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.8 mt -81.34 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -163.43 32.66 0.28 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.0 111.011 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.45 ' HG ' HD12 ' A' ' 242' ' ' ILE . 12.5 mt -122.52 169.65 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.278 174.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.557 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 28.2 m-85 -149.37 -88.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -131.15 106.11 8.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 0.0 109.666 -172.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 18.1 m -74.81 171.92 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.042 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.35 18.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -60.57 147.96 39.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.0 t -97.91 -17.42 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.367 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.88 -4.85 57.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.17 173.42 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.063 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -97.49 -26.16 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 69.8 mmm -75.96 -12.11 60.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.502 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 12.5 t80 -55.93 144.34 58.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 176.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.502 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -75.05 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -169.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 137.89 32.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -53.88 157.67 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.27 167.24 28.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.652 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -157.57 179.02 9.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.425 ' O ' HG21 ' A' ' 190' ' ' THR . 13.8 tp -155.28 151.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 14.9 t -60.88 -26.23 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 106.62 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.2 -23.24 65.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -176.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.408 ' N ' HD13 ' A' ' 229' ' ' LEU . 12.9 t -66.23 -9.31 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -105.76 -5.22 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.1 OUTLIER -46.97 155.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -178.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -157.76 157.09 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.73 HD11 ' CG1' ' A' ' 123' ' ' VAL . 71.0 mt -77.48 126.63 31.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 170.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 47.3 t -65.17 166.68 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -64.21 -26.83 68.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.7 -37.74 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.04 -48.96 21.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.692 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -64.16 -42.24 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -49.36 -47.89 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.72 -53.78 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.692 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -54.58 -28.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 0.717 . . . . 0.0 109.305 -173.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -83.8 -35.28 24.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 25.1 p -62.73 -26.79 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -86.41 -20.67 27.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 130' ' ' LEU . 31.1 m-85 -147.93 -88.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 111.003 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.09 118.37 2.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 166.98 27.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.94 30.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.971 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.39 153.48 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 1.3 t 72.74 147.53 0.12 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 64.07 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 255' ' ' THR . 44.9 mt-10 -137.28 158.32 44.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -178.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 254' ' ' GLU . 30.1 p . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.044 -1.455 . . . . 0.0 110.431 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.772 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.776 ' N ' ' HG ' ' A' ' 212' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -149.8 172.94 14.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -127.38 133.77 49.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.85 173.29 1.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 175.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.816 . . . . 0.0 111.007 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.18 4.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -173.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 mt 65.72 102.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.99 11.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.345 1.708 . . . . 0.0 110.947 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 174.41 123.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.76 155.28 23.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -88.65 -3.97 58.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -125.89 150.53 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 p -83.65 -38.33 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 110.388 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 108.98 17.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.616 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.17 166.2 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.384 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 151.12 50.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.09 172.14 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -162.41 145.2 11.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.68 116.6 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.06 -40.05 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -159.25 171.57 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -124.61 -171.6 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -111.86 143.31 28.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -176.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.97 65.6 6.03 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.002 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -160.34 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.78 159.25 29.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.11 168.09 25.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 171.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -59.0 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -38.21 27.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.13 88.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.19 -51.43 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -33.54 61.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -61.84 -42.42 99.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.979 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.09 -39.3 71.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.39 1.056 . . . . 0.0 109.279 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.69 -51.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -45.68 -30.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 5.9 mtpm? -84.05 -59.41 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.4 -51.81 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -69.33 -24.53 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -172.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.599 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -65.99 -34.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.709 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.1 m95 -84.83 -31.93 23.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 108.044 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.8 -24.51 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -19.19 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 13.6 m -127.99 15.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -172.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.7 p -147.64 161.63 34.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.473 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 246' ' ' TYR . 82.3 mt -64.31 155.32 32.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -170.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.8 p -131.76 167.33 19.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 171.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -139.08 152.56 47.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.0 m -145.45 152.33 39.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -98.99 151.85 20.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 73.8 mt -129.7 148.27 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -105.59 -5.23 20.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -154.99 171.06 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.99 -158.46 53.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.58 140.38 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.282 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -108.74 163.55 13.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.9 -40.36 97.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.17 88.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.96 88.71 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.67 143.88 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -152.72 163.42 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.076 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -117.83 151.94 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.045 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -160.12 166.37 29.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.2 m -134.6 -171.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 170.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.2 ptt85 37.42 -158.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.264 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.2 tm-20 -68.19 100.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 172.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.461 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 38.2 p-80 -102.26 43.31 1.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 76.18 41.58 26.19 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 0.5 OUTLIER -166.36 177.41 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.0 t80 -89.81 -2.42 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -167.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -112.24 96.86 37.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 176.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.6 m-30 -108.27 127.25 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 170.04 116.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 151.66 167.57 15.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 97.33 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 110.897 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 162' ' ' ASN . . . 90.03 -97.75 2.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER 45.3 -163.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 0.799 . . . . 0.0 109.291 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.1 t -34.82 116.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 171.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.22 -37.29 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 175.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -174.99 141.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -124.77 164.45 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.61 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.54 171.73 19.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -142.14 158.66 43.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -176.238 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.879 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.67 -179.39 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.879 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.02 152.48 40.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.38 -128.1 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -169.64 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.96 -17.38 63.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.534 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -82.76 -30.18 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 177.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -85.6 155.98 20.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.53 -37.68 2.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.77 164.11 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.314 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -137.68 116.21 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 25.3 m170 -90.31 124.42 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.558 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.86 150.08 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -82.87 111.2 18.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 109.322 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -25.25 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.72 51.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.84 152.29 11.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.228 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 26.8 tt0 -74.59 155.89 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.328 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.403 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 92.6 m95 -141.85 155.93 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.024 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.602 HG21 ' HA3' ' A' ' 192' ' ' GLY . 29.8 p -139.74 156.54 46.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 175.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -92.21 -20.92 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -115.64 -156.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.6 p -104.28 66.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.1 t -134.21 15.28 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.41 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.602 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -174.04 -139.17 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.4 m -85.95 90.24 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.43 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.02 109.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.58 -61.1 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.44 -50.25 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -176.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.593 HD21 ' C13' ' A' ' 256' ' ' INH . 2.1 tt -57.69 -33.61 68.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 0.0 109.252 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.21 -33.47 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 196' ' ' PHE . . . -57.47 -45.89 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 1.04 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.19 -39.21 89.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.327 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . 0.442 ' CE1' ' H44' ' A' ' 256' ' ' INH . 15.9 t60 -55.9 -54.72 41.19 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 121.212 -0.93 . . . . 0.0 110.942 172.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -59.39 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 175.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.34 -44.93 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -47.09 27.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.1 m-70 -65.39 -41.43 93.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.767 . . . . 0.0 109.622 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.5 m -60.91 -36.72 80.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.67 -72.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.66 48.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 209' ' ' LEU . 13.4 mt -124.25 165.41 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 0.815 . . . . 0.0 109.281 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 211' ' ' HIS . 57.2 m-85 -155.71 164.73 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.972 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 210' ' ' PHE . 41.0 m170 -42.34 129.7 3.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.563 -169.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.776 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 2.8 m -100.4 170.36 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.47 -34.59 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.48 146.04 54.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -95.65 -14.62 23.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.14 -11.38 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.637 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.04 147.71 26.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.04 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -81.06 -8.57 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 178.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.534 ' N ' HD23 ' A' ' 218' ' ' LEU . 8.1 tpp -82.48 -18.44 41.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 54.6 t80 -51.67 140.84 26.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.931 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.09 52.65 3.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 131.44 2.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 172.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -52.05 152.83 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -145.52 167.54 22.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 0.0 109.535 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.5 m -159.96 174.84 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.972 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.1 tp -147.99 149.96 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 9.7 t -52.3 -33.19 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.83 97.86 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.797 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -66.78 -24.63 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -173.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.403 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -63.24 -21.63 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -177.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -100.87 -4.48 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.575 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.1 t80 -42.42 154.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.942 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 157.59 34.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 176.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.709 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 8.8 mt -81.2 137.31 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.637 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 89.7 p -69.93 164.88 22.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -30.35 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -177.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.94 -43.39 86.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.43 -43.55 69.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.614 1.196 . . . . 0.0 109.345 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -176.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -51.6 -44.36 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.94 -51.52 5.8 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -59.52 -26.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 -174.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.28 -40.13 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 m -55.54 -28.86 57.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 110.066 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.73 -32.73 23.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.459 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.0 m-85 -135.14 -91.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.96 119.74 4.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.89 25.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.98 32.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 161.67 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.471 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -61.75 -53.69 58.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -176.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.3 Cg_endo -75.01 87.6 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.28 75.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.279 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.031 -1.462 . . . . 0.0 110.315 -179.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.622 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.733 ' N ' ' HG ' ' A' ' 212' ' ' SER . 2.8 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.509 0.195 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -176.12 176.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.2 p -117.47 135.76 53.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.84 171.44 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 170.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.56 22.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp 57.25 100.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.6 Cg_endo -74.9 129.87 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.06 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 pttp 179.0 123.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -74.9 151.58 38.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.182 . . . . 0.0 108.074 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.3 -3.99 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -174.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -135.32 150.58 50.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 p -87.11 -32.22 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -74.25 74.52 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.5 mt -70.96 158.99 35.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.23 150.1 51.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 110.41 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -144.4 174.96 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -162.53 147.71 12.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -105.98 116.95 50.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.27 -40.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -157.31 171.19 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -124.33 -170.14 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -112.81 143.25 28.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.438 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.98 66.79 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 111.027 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -161.67 -48.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.2 mt -102.64 159.42 29.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.02 164.73 32.74 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.527 1.804 . . . . 0.0 111.056 171.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -60.52 -61.93 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -35.03 61.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 -174.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.24 -45.77 86.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.354 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.16 -54.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.23 -37.0 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.55 -41.6 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -56.35 -39.14 72.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 5.1 t -74.85 -55.89 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -46.3 -28.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.355 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 115' ' ' SER . 29.3 mtpt -85.94 -52.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.69 -41.52 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 41.9 mt -62.16 -52.39 64.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -59.01 -36.58 75.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.2 t -56.75 -40.35 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.812 ' CE3' HD13 ' A' ' 242' ' ' ILE . 95.6 m95 -86.7 -30.76 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 107.962 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.52 -23.34 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.404 ' OE1' ' NH2' ' A' ' 233' ' ' ARG . 3.0 mt-10 -78.66 -17.68 55.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.558 HG23 HG21 ' A' ' 242' ' ' ILE . 14.4 m -127.88 18.81 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -171.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.3 p -148.79 161.53 32.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.402 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.08 20.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -57.94 155.54 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -171.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -137.26 133.9 35.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.98 154.88 19.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.0 m -152.07 152.39 32.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -100.4 153.85 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.4 mt -127.47 113.03 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -57.56 -24.64 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.99 165.43 36.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.06 -177.61 32.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.93 105.76 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 110.252 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.2 162.37 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.87 -39.56 94.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.9 mt -117.24 86.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.5 89.92 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.038 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.67 130.1 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.8 p -149.75 124.85 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.067 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.491 ' CE1' ' CD1' ' A' ' 180' ' ' PHE . 5.4 m-30 -86.27 155.36 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.94 142.34 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.435 HG23 ' HG2' ' A' ' 149' ' ' ARG . 1.3 m -98.27 167.73 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 172.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.435 ' HG2' HG23 ' A' ' 148' ' ' VAL . 2.1 ptm180 41.76 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.222 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -52.49 137.46 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.757 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 41.7 p-80 -151.58 36.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.543 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.558 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 94.77 -175.64 34.21 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 1.2 t70 42.81 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.384 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.17 69.18 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.757 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -150.05 69.67 9.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 174.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.556 1.819 . . . . 0.0 111.05 -172.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -53.7 162.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 172.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -150.88 90.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.71 -167.28 4.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 171.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 66.88 -160.29 48.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 44.22 -148.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -176.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.54 HG12 ' CE1' ' A' ' 157' ' ' PHE . 55.9 t -35.05 117.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 172.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.94 -38.81 11.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 174.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.23 141.87 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -131.62 169.28 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.632 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.96 151.48 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -173.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.15 147.37 37.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -58.72 177.22 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.829 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.97 157.21 43.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 167.45 -129.75 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.47 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -67.05 -14.51 63.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -171.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -22.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.201 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.19 164.16 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.48 -10.46 50.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.7 174.22 11.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.86 121.76 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -112.63 124.77 53.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.529 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.491 ' CD1' ' CE1' ' A' ' 146' ' ' PHE . 17.6 m-85 -102.5 172.9 6.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 171.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.74 108.15 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.51 -25.64 57.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.295 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -86.29 52.21 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -162.44 147.85 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.48 154.28 41.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.278 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -144.18 156.15 44.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' N ' ' A' ' 192' ' ' GLY . 17.6 p -140.78 178.26 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -116.22 21.15 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.8 179.64 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.9 p -77.2 67.44 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 39.1 p -127.46 -46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.58 ' N ' HG21 ' A' ' 187' ' ' THR . . . -116.2 -131.01 4.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 29.8 m -90.06 95.94 10.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 170.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -52.91 108.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.02 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -47.23 -49.14 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -177.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.578 HD21 ' C13' ' A' ' 256' ' ' INH . 1.7 tt -59.59 -36.22 75.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.06 -28.27 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -71.4 -38.62 71.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.243 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.834 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -65.63 -22.75 66.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.13 -59.3 2.8 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 121.097 -1.002 . . . . 0.0 110.825 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -53.47 -52.09 60.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.459 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.3 OUTLIER -52.35 -38.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.64 -37.93 69.94 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 65.7 m-70 -66.93 -36.64 82.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.585 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.6 t -70.32 -35.1 73.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 242' ' ' ILE . 60.2 mt -73.06 -54.68 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . 0.698 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 141.18 55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 110.914 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 1.055 HD21 HD12 ' A' ' 242' ' ' ILE . 0.0 OUTLIER -150.97 149.99 30.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 166.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 211' ' ' HIS . 39.1 m-85 -123.86 -176.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 210' ' ' PHE . 65.1 m170 -40.66 138.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.618 -171.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.733 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 1.9 m -108.31 177.48 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 109.987 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.61 -47.99 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -54.8 148.49 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.212 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 11.6 t -94.34 -29.83 14.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.02 -17.72 62.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.14 137.32 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.067 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -72.91 -13.69 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.327 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 219' ' ' MET . 4.0 tpp -83.51 -7.18 59.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 37.4 t80 -63.93 137.56 97.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.6 Cg_endo -75.0 55.94 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -167.05 128.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -75.53 144.63 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -169.83 122.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 75.6 m -93.42 134.67 35.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.19 148.84 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.2 t -48.3 -36.71 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -137.13 106.22 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.33 -24.32 67.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -175.308 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.1 t -64.31 -14.61 57.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -103.33 -5.52 22.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 232' ' ' PHE . 0.2 OUTLIER -45.27 147.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -177.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.404 ' NH2' ' OE1' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -159.71 146.16 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 176.105 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.748 HD11 ' CG1' ' A' ' 123' ' ' VAL . 26.3 mt -68.77 139.01 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 3.5 m -77.73 158.62 29.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 110.059 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -31.46 44.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.338 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.12 -42.78 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.386 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.82 -48.74 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.679 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.92 -36.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -175.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -44.62 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.83 -51.11 5.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 1.055 HD12 HD21 ' A' ' 209' ' ' LEU . 0.4 OUTLIER -59.07 -23.23 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -174.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -91.94 -34.61 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.2 m -57.06 -30.7 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 90' ' ' PRO . 35.1 mt -88.02 -22.27 24.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -142.43 -93.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 111.105 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.21 120.29 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.15 31.87 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.94 7.94 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.22 144.91 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.484 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 168.58 -55.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -75.05 74.34 4.06 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 110.944 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.33 139.83 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.001 -1.476 . . . . 0.0 110.401 -179.421 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.706 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.47 0.176 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -142.67 159.93 41.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -125.53 134.24 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -64.47 171.69 2.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 175.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.93 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.85 -11.78 4.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.432 HG22 ' HG2' ' A' ' 91' ' ' LYS . 34.1 mt 65.76 102.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.412 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.94 127.82 11.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.071 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.432 ' HG2' HG22 ' A' ' 89' ' ' ILE . 6.8 ptpt 172.47 123.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.424 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 98.4 m95 -69.01 150.56 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 107.962 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.74 -4.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.7 154.11 38.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.8 p -94.62 -32.3 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -74.4 80.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.04 161.63 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 151.4 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -144.36 175.17 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.053 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -162.77 146.24 11.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.1 114.94 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.417 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.1 t -78.42 -39.83 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.68 173.28 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.96 -176.64 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -175.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 145.25 30.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 63.04 6.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.84 -48.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.07 157.57 33.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.482 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.06 165.16 31.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 169.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -60.72 -62.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.53 -34.11 57.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -174.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.6 -46.17 83.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 109.243 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.59 -53.73 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -37.95 34.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -54.4 -43.49 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.84 66.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -79.09 -51.24 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.75 -25.53 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' SER . 40.9 mttm -91.55 -52.45 4.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.28 -47.77 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.269 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.66 -52.77 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.87 -27.43 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -63.8 -35.32 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.832 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.1 m95 -87.02 -28.43 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.078 -175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -51.95 -26.07 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.33 -20.14 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.287 -171.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 242' ' ' ILE . 12.7 m -126.14 14.05 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -171.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' VAL . 14.1 p -149.8 160.31 34.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 168.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.0 mt -57.79 153.88 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -171.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 p -138.32 134.22 33.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.35 129.86 55.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -172.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.9 t -111.99 162.86 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 142.31 34.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.8 112.88 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -70.8 -14.13 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -161.84 166.27 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 99.02 -178.53 30.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -97.53 99.88 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.367 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.38 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.73 -38.92 92.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.94 89.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 3.6 mtt -90.53 88.79 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.96 137.15 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.7 p -148.93 169.68 20.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 110.037 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 16.3 m-85 -124.61 152.32 43.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 176.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.85 142.75 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.3 m -99.9 164.11 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 173.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' VAL . 4.9 ptt85 42.27 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.16 129.89 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.65 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 46.7 p-80 -139.06 35.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.59 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 95.92 -173.5 30.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 155' ' ' TYR . 0.8 OUTLIER 43.62 -157.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 175.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -123.63 71.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.65 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.88 72.6 5.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 176.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -70.7 -167.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 177.682 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 5.2 t0 83.36 115.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 166.87 176.3 37.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 84.2 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.64 -106.34 2.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.65 -153.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 178.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.634 HG12 ' CE1' ' A' ' 157' ' ' PHE . 77.9 t -37.46 122.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.84 -39.51 8.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.483 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -164.44 142.53 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -132.33 167.04 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.66 153.62 28.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -172.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -112.91 153.31 28.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.836 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -57.49 178.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 170.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.836 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.99 152.38 40.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 163.15 -133.7 3.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -168.69 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.783 . . . . 0.0 110.954 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.02 -18.51 62.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.393 1.058 . . . . 0.0 111.0 -169.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.32 -31.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.294 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.9 m120 -87.65 145.11 26.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.49 27.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.581 1.175 . . . . 0.0 110.999 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.99 159.83 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -130.03 122.15 27.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.288 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -106.26 123.6 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 25.4 m-85 -102.91 170.85 7.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 111.037 174.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -93.29 132.51 37.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.56 -21.89 15.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -88.14 51.41 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.56 152.65 16.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -72.7 155.11 40.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -144.95 156.75 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 107.945 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.592 HG21 ' HA3' ' A' ' 192' ' ' GLY . 20.3 p -140.66 174.68 10.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -115.51 24.33 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -169.08 -176.39 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.3 p -82.24 90.42 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.5 t -159.52 -44.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.403 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.592 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -112.54 -132.64 5.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 67.9 m -88.61 83.42 6.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.411 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -44.57 107.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.215 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.36 -54.34 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -172.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 229' ' ' LEU . 0.4 OUTLIER -50.51 -46.68 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -176.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.982 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -53.39 -38.43 63.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 45.0 t -79.4 -30.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -68.8 -45.65 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.995 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.77 -23.53 67.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -76.19 -59.16 2.88 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.123 -0.986 . . . . 0.0 110.789 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.0 OUTLIER -53.9 -50.79 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.3 OUTLIER -54.37 -39.83 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -178.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -51.97 -43.88 55.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 72.1 m-70 -63.15 -37.04 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.604 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.7 t -68.45 -43.31 77.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.107 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.47 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.92 50.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.929 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.449 HD12 ' CH2' ' A' ' 124' ' ' TRP . 13.7 mt -126.12 165.32 19.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.506 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.7 m-85 -157.05 160.42 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 210' ' ' PHE . 57.1 m170 -35.82 118.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.562 -169.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.9 m -77.34 172.46 13.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.37 27.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -61.99 149.07 41.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -9.73 19.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.72 -4.86 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.74 152.9 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.995 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -76.48 -12.4 60.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -13.0 59.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.963 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.4 t80 -66.82 139.85 95.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.95 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.8 OUTLIER -166.72 132.78 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 176.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.66 149.42 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -135.95 172.51 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 51.0 m -163.53 168.58 19.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 17.2 tp -154.59 155.49 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -37.15 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 110.39 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 129.73 13.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 0.0 109.281 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -81.59 -19.43 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -175.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.425 ' N ' HD23 ' A' ' 229' ' ' LEU . 5.9 t -61.49 -9.29 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -115.78 -6.09 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.722 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 3.2 t80 -48.51 154.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -156.72 156.45 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.832 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 5.1 mt -82.82 136.58 34.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.207 175.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 45.8 m -61.93 159.03 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.26 -27.46 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -57.7 -41.72 82.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.41 -45.0 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.637 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -66.81 -37.73 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -44.78 63.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.7 -56.2 3.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.901 -175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.3 OUTLIER -54.61 -46.21 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -175.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -26.11 60.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 10.7 t -71.72 -33.1 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 90' ' ' PRO . 7.0 mt -78.33 -16.7 57.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.8 m-85 -143.34 -89.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.11 115.57 3.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.567 1.825 . . . . 0.0 111.022 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.87 32.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.15 7.64 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.64 144.14 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.48 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 167.82 -54.78 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.0 Cg_endo -75.03 67.85 5.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.967 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.64 79.69 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.353 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.858 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.464 0.173 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -136.43 171.9 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.6 p -130.76 -109.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 175.98 168.42 0.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 111.059 -178.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.6 Cg_endo -74.95 85.28 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.407 1.74 . . . . 0.0 111.014 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.26 -6.49 6.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.8 mt 67.01 116.51 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.599 0.823 . . . . 0.0 109.264 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.619 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.99 128.13 11.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 174.8 123.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.33 159.2 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 107.968 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.1 -3.9 58.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -134.1 156.74 47.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 p -90.81 -33.99 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.05 83.01 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.4 mt -83.84 158.98 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.19 152.5 44.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -145.31 169.52 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -167.09 140.76 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.2 mp -99.55 113.7 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 174.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.68 -39.97 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.05 169.57 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -121.76 -179.26 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -107.43 141.88 23.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.5 Cg_endo -74.92 69.02 5.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -163.56 -48.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 108' ' ' LEU . 18.0 mt -99.37 157.53 33.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.7 Cg_endo -74.89 163.91 34.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.71 -57.86 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -173.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 115' ' ' SER . 4.5 t70 -51.23 -39.02 55.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.5 -46.11 91.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -175.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.13 -53.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -52.56 -33.69 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -64.91 -43.44 92.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.013 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.47 -33.14 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.37 -51.81 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.67 -28.59 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 115' ' ' SER . 26.5 mttp -91.95 -47.66 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -175.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -57.4 -49.19 77.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.88 -53.86 49.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -61.38 -33.67 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.355 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.98 -32.38 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -178.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 93.7 m95 -90.57 -31.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.99 -24.78 17.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.02 -18.57 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 242' ' ' ILE . 6.8 m -132.79 17.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -173.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.0 p -145.71 159.05 48.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 171.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.78 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.8 mt -57.47 152.22 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 -171.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.79 134.98 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 173.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.9 134.54 51.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 110.976 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 m -123.25 144.78 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.09 153.55 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.3 mt -132.82 146.75 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -98.64 -9.09 25.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -155.5 174.65 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.22 52.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.34 104.76 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.268 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.37 158.35 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.72 -36.95 85.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.3 mt -117.14 85.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.85 91.15 7.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.3 149.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.9 t -155.5 161.44 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -117.88 134.27 55.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -147.65 167.02 25.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -174.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.58 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -132.21 -177.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 165.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 148' ' ' VAL . 9.5 ptm180 36.52 -157.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 177.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.455 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 0.8 OUTLIER -65.74 102.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 176.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 22.3 p-80 -105.14 -5.97 20.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.652 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.12 -87.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.488 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.28 -166.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.355 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -99.02 77.07 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.61 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.77 64.16 2.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -176.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.74 22.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -169.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 10.2 m-30 -93.96 146.34 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 172.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.05 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -53.46 151.27 10.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 -175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.7 8.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.28 -117.39 4.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 44.27 -148.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 0.812 . . . . 0.0 109.314 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.3 t -33.62 109.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 173.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.0 -34.9 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -177.62 143.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.57 ' HA ' ' O5 ' ' A' ' 256' ' ' INH . 1.0 OUTLIER -118.93 167.2 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 176.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.83 172.14 18.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -127.64 167.32 16.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.76 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.3 173.95 2.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.76 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -74.95 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.062 -173.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -167.48 167.07 39.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.56 1.821 . . . . 0.0 111.008 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 81.67 -115.05 3.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -24.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.298 -171.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.13 165.13 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.9 -38.14 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 162.52 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.05 112.02 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -97.15 123.97 41.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -97.41 151.6 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 9.6 t70 -78.14 103.29 7.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.62 -24.78 56.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -79.12 50.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -168.71 147.55 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 52.9 tp60 -71.2 153.68 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.503 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 94.8 m95 -135.46 157.96 45.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.07 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.639 HG21 ' HA3' ' A' ' 192' ' ' GLY . 12.7 p -139.92 172.72 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -115.98 27.84 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -171.38 179.38 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.3 p -79.54 86.76 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.38 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.8 t -155.99 -42.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.376 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.639 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.97 -139.06 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 173.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 69.1 m -81.09 80.02 7.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.449 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.5 108.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.06 -55.69 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 -172.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.432 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -50.01 -42.59 49.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -174.546 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -56.74 -38.24 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.64 -37.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.44 77.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.894 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -64.21 -30.0 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.45 -53.03 9.35 Favored 'General case' 0 N--CA 1.514 2.751 0 O-C-N 121.153 -0.967 . . . . 0.0 110.851 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -51.7 52.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.91 -40.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.25 37.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 210' ' ' PHE . 73.2 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.576 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.7 m -63.65 -29.7 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.936 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.16 -98.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -158.35 33.16 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.524 HD12 ' CH2' ' A' ' 124' ' ' TRP . 15.4 mt -120.58 173.62 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.605 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 15.7 m-85 -152.89 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 40.7 m170 -148.35 126.49 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -174.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 63.1 p -90.92 176.65 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.77 12.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.25 147.43 51.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 220' ' ' TYR . 7.1 t -95.34 -15.84 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.419 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.14 -16.07 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -78.64 155.88 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -82.75 -13.58 56.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.491 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.9 tpt -81.92 -8.46 59.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.996 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.482 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 38.0 t80 -72.38 144.77 87.14 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.046 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.96 59.78 5.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -167.36 134.48 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -75.3 151.72 38.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.06 124.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 58.4 m -97.26 134.92 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 tp -86.34 155.09 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 12.0 t -54.99 -28.82 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.428 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . 0.424 ' OD2' ' NH1' ' A' ' 231' ' ' ARG . 0.0 OUTLIER -148.66 131.55 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 176.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -104.39 -19.18 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -175.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.426 ' N ' HD23 ' A' ' 229' ' ' LEU . 8.0 t -60.94 -11.49 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . 0.424 ' NH1' ' OD2' ' A' ' 228' ' ' ASP . 0.1 OUTLIER -121.54 -5.54 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.716 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -38.52 149.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -176.033 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -153.09 150.02 28.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.6 mt -71.69 139.58 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.474 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 43.6 m -69.31 156.94 37.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -33.7 54.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -52.39 -43.09 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.6 -44.48 57.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.664 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.6 -35.92 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -50.47 58.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.19 -50.84 6.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -56.43 -28.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 -174.519 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -88.17 -35.33 17.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.1 t -57.94 -30.68 66.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.6 mt -91.26 -15.91 28.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.91 -89.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.07 122.29 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.571 1.827 . . . . 0.0 110.976 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 177.86 8.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.5 143.64 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.3 OUTLIER -72.74 -54.01 5.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.1 Cg_endo -74.97 160.73 39.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.971 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -78.35 105.36 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.029 -1.462 . . . . 0.0 110.378 -179.472 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.863 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.489 0.185 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -143.15 167.56 21.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -133.95 134.96 43.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 210' ' ' PHE . 0.2 OUTLIER -60.56 170.29 1.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 176.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 96.74 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 -8.77 6.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.421 1.075 . . . . 0.0 111.014 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 58.9 mt 67.13 106.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.723 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.95 129.72 12.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 pttp 176.97 124.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -67.94 155.56 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -86.08 -3.33 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' CD ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.45 150.25 50.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -178.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 p -87.57 -30.37 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.601 1.188 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -76.52 92.39 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.612 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' CD ' ' A' ' 94' ' ' LYS . 51.2 mt -92.28 147.47 22.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.71 149.38 49.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 117' ' ' VAL . 39.1 p90 -143.98 170.49 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.7 ttt-85 -165.51 138.84 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -99.62 115.99 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.34 -39.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 -170.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -141.12 167.22 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.72 -177.85 4.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.53 145.02 32.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -176.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 67.61 5.94 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.32 -47.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.52 158.56 31.55 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 168.7 24.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 168.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -61.87 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -170.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -28.27 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.496 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.99 -43.12 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.47 -55.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.96 -34.1 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.1 t -55.89 -43.97 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.48 -34.46 64.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 99' ' ' TYR . 26.8 t -80.28 -49.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.8 -29.67 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 7.3 mttp -92.86 -49.36 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -174.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.71 -47.12 74.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD22 ' CE1' ' A' ' 132' ' ' PHE . 89.1 mt -57.07 -53.94 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.87 74.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.71 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -53.37 -32.68 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.785 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 91.5 m95 -91.29 -31.52 16.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 108.032 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.57 -24.76 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.58 -18.88 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.556 HG23 HG21 ' A' ' 242' ' ' ILE . 11.2 m -129.52 16.5 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 -173.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 49.4 p -146.48 160.79 40.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -8.91 20.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.458 HD21 ' CE1' ' A' ' 246' ' ' TYR . 78.4 mt -57.11 155.94 7.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -131.06 159.11 38.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 121' ' ' LEU . 90.7 m-85 -136.8 142.3 42.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 111.019 -174.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.5 m -138.18 146.97 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.59 147.55 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.11 129.46 43.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -87.73 -10.3 51.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -159.73 170.85 20.63 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.16 174.9 49.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.67 101.09 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.97 164.0 27.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.51 -38.19 90.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.377 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 92.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.223 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 mtt -91.64 85.2 5.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.78 122.42 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 m -143.32 126.71 16.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 180' ' ' PHE . 2.5 m-30 -84.57 164.16 18.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.973 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.7 143.47 5.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.4 m -101.92 152.5 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 53.33 -176.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.5 122.16 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -122.02 11.18 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 -171.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.6 64.43 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD2' ' CE1' ' A' ' 155' ' ' TYR . 19.0 t0 -174.81 -179.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -65.61 -19.29 65.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -114.58 96.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 136.13 19.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -81.75 171.83 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.012 172.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.25 104.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.66 -173.59 3.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.074 169.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -178.78 4.41 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 61.4 -160.46 27.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.405 1.066 . . . . 0.0 110.993 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.41 -153.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -36.43 118.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 175.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.511 HD21 ' H65' ' A' ' 256' ' ' INH . 15.4 mt -88.48 -39.74 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.31 142.51 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.455 ' NE2' ' HB2' ' A' ' 179' ' ' HIS . 0.8 OUTLIER -125.03 159.85 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.574 177.164 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.16 154.94 30.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.565 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -131.49 152.35 50.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 -168.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.706 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -60.28 172.54 0.74 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 173.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.99 153.27 41.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.8 . . . . 0.0 111.049 -177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.41 0.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.06 2.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -69.44 -13.48 68.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -169.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.44 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -90.49 -23.41 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.117 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.91 165.53 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.64 -36.58 3.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.69 168.77 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.84 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.455 ' HB2' ' NE2' ' A' ' 166' ' ' HIS . 19.8 m170 -112.69 137.13 51.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 0.0 109.615 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.507 ' HB2' ' CD1' ' A' ' 146' ' ' PHE . 8.0 m-85 -103.43 177.16 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 170.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -92.98 104.69 16.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.95 -23.11 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.34 49.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.25 151.28 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.44 154.28 38.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -143.04 154.79 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.58 HG21 ' HA3' ' A' ' 192' ' ' GLY . 17.1 p -137.88 170.63 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -110.09 18.01 20.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.87 176.48 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 19.1 p -73.95 74.16 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -135.98 -54.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.461 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -107.62 -131.91 6.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 176.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 77.3 m -85.12 82.53 8.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.417 169.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -43.66 107.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.77 -54.01 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 -173.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -50.74 -46.38 59.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 111.07 -176.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 218' ' ' LEU . 0.6 OUTLIER -55.77 -37.55 68.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 -31.48 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -69.6 -46.95 65.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.68 -23.03 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.264 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -75.79 -60.7 2.2 Favored 'General case' 0 N--CA 1.514 2.744 0 O-C-N 121.176 -0.953 . . . . 0.0 110.826 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 1.2 pp20? -53.39 -50.43 65.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.297 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.43 HG22 ' HE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -52.63 -39.15 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.488 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.65 -46.37 47.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.88 -39.43 93.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.804 . . . . 0.0 109.591 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 15.3 t -61.0 -39.58 90.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.76 -67.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.247 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 162.43 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.473 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.7 mt -119.53 170.11 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 211' ' ' HIS . 78.0 m-85 -158.36 162.41 37.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -38.95 118.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 4.6 m -74.76 -92.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.12 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.21 149.3 33.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.37 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.2 t -89.05 -19.29 25.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.41 -16.72 57.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.252 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 235' ' ' SER . . . -82.66 139.34 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.3 tpt -71.75 -13.92 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.1 t80 -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.99 61.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.36 132.77 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 178.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -69.54 145.4 52.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -168.06 123.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.581 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 39.4 m -105.8 167.07 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 23.9 tp -125.13 155.34 40.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.5 p -46.23 -45.05 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.7 122.45 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.373 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.7 -20.05 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -176.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 229' ' ' LEU . 11.5 t -61.75 -8.32 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -112.3 -6.47 14.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.387 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.669 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 4.5 t80 -54.6 153.13 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -157.96 157.48 33.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.785 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.0 mt -84.11 134.72 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 173.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 217' ' ' ALA . 49.0 m -63.93 156.8 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -54.76 -28.2 46.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.44 -42.93 74.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -74.17 -46.52 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.693 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -62.36 -41.32 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -50.85 -45.98 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.21 -52.78 5.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -58.52 -26.26 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -174.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -87.31 -35.92 18.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.233 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 46.5 t -59.57 -26.11 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.4 mt -89.92 -19.49 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.458 ' CE1' HD21 ' A' ' 130' ' ' LEU . 39.5 m-85 -147.39 -90.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.74 118.51 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.97 28.1 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.05 31.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 177.23 8.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.64 144.47 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 61.7 m 48.03 69.76 2.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.71 30.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -153.45 172.68 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.002 -1.475 . . . . 0.0 110.427 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.774 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.8 165.89 26.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.0 p -134.41 135.29 42.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.32 170.92 0.84 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.39 -8.35 5.93 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HD23 ' A' ' 245' ' ' LEU . 67.6 mt 66.84 105.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.24 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.703 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.794 . . . . 0.0 111.013 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.4 pttt 177.53 123.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -64.58 151.26 45.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.27 -3.67 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -135.82 155.44 50.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.077 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -88.92 -30.4 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -74.09 84.17 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.566 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 130' ' ' LEU . 47.4 mt -84.65 150.11 25.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -177.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.13 148.12 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.373 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -142.45 168.07 20.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 111.065 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -167.58 133.6 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -93.55 117.94 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.25 -41.88 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -156.03 169.72 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.51 -171.85 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 111.03 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -115.52 142.95 29.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 -177.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.02 67.72 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -162.85 -47.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' A' ' 187' ' ' THR . 22.9 mt -103.43 159.72 28.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 165.54 31.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -64.12 -57.93 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.18 -35.69 62.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.12 -45.91 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.32 -53.35 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.98 -33.51 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.72 -33.14 54.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -43.15 -34.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 196' ' ' PHE . 11.0 mttp -90.39 -52.95 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.52 -42.99 67.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.06 -53.51 57.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.38 -35.69 74.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.583 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -30.6 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.749 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 96.2 m95 -93.08 -31.01 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 107.93 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.89 -23.68 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.2 -18.58 60.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.563 HG23 HG21 ' A' ' 242' ' ' ILE . 8.3 m -130.78 17.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -172.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.5 p -145.65 159.57 47.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.385 170.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.32 21.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 246' ' ' TYR . 82.2 mt -56.1 155.4 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -171.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.9 p -134.12 133.94 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.39 132.11 54.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -171.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -124.95 163.1 23.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -114.26 153.09 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -131.93 130.39 41.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -81.83 -9.07 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -152.09 173.22 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.31 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.14 -168.37 54.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -109.98 108.02 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.95 159.69 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.587 1.18 . . . . 0.0 109.364 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.68 -39.81 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -177.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.9 mt -115.94 83.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.19 86.2 6.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.27 148.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -155.38 157.15 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.946 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -114.93 129.37 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -141.66 171.61 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -174.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 149' ' ' ARG . 5.4 m -142.66 179.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.626 ' HG3' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 32.75 -144.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 175.118 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.8 94.57 0.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.648 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 35.4 p-80 -105.18 44.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.639 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 65.8 62.62 4.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 8.5 p-10 -172.37 -174.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -172.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.7 t80 -112.45 -4.51 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.055 . . . . 0.0 111.001 -176.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -115.62 86.68 15.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.4 Cg_endo -75.05 146.6 32.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.6 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 11.1 m-30 -102.96 130.48 50.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.79 -60.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -47.31 147.18 3.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 129.66 12.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.47 -126.99 8.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.5 OUTLIER 44.92 -149.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 162' ' ' ASN . 10.6 t -34.09 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -31.26 13.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 173.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -176.28 142.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.564 ' CE1' ' CZ ' ' A' ' 157' ' ' PHE . 1.3 p-80 -117.53 163.85 15.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -160.26 168.94 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 163.55 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.54 177.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 173.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 152.68 41.31 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.568 1.825 . . . . 0.0 110.983 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 174.62 -122.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -173.24 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 110.938 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -67.76 -14.27 64.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -20.3 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.336 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.08 164.7 15.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.05 -37.36 2.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -74.3 148.81 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -121.83 115.07 21.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -92.89 121.99 34.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 29.8 m-85 -90.16 148.92 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 171.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.8 t0 -82.18 101.32 10.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -23.35 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -78.82 48.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -165.5 158.19 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 45.7 tt0 -74.18 157.04 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 82.2 m95 -146.83 156.41 43.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.038 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.576 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.3 p -139.74 175.83 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 172.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -109.42 18.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -163.4 -166.34 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 226' ' ' LEU . 19.9 p -89.09 63.16 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 -176.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.2 t -137.58 17.54 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.473 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.576 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -179.72 -144.48 5.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 36.8 m -81.55 80.8 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 0.723 . . . . 0.0 110.397 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -49.21 115.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.51 -52.25 41.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.79 ' CD1' HD11 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -51.56 -35.28 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 -176.072 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 197' ' ' LEU . 0.1 OUTLIER -81.66 -31.06 32.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.236 -172.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.423 HG22 ' H47' ' A' ' 256' ' ' INH . 56.8 t -76.11 -33.68 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 174.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.27 84.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -53.35 -50.9 64.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . 0.482 ' CG ' ' H44' ' A' ' 256' ' ' INH . 25.1 t60 -50.31 -58.71 5.04 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 121.136 -0.977 . . . . 0.0 110.872 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.466 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.4 mt-10 -48.18 -60.51 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.239 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.44 -43.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -46.81 -51.17 13.5 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 92.7 m-70 -62.67 -42.13 99.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.63 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 14.8 t -58.26 -38.59 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.14 -73.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.211 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.04 41.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.528 HD12 ' CH2' ' A' ' 124' ' ' TRP . 9.1 mt -114.0 168.84 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 58.4 m-85 -159.77 165.79 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -45.79 122.8 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.649 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 77.4 p -82.74 167.04 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.59 -26.03 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.2 147.09 46.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -100.91 -12.47 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.57 -24.54 56.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.15 161.46 26.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.65 -9.65 46.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.33 178.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.481 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.7 tpt -74.44 -27.03 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.6 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 65.7 t80 -46.93 140.55 6.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.6 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.94 60.64 5.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.569 1.826 . . . . 0.0 111.021 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.7 OUTLIER -167.36 133.72 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 177.646 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -50.27 151.01 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -142.08 123.8 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.581 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.16 150.32 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 190' ' ' THR . 44.0 tp -140.36 137.62 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -40.71 -61.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.66 100.22 10.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -66.34 -19.49 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -177.069 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -5.88 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 229' ' ' LEU . 79.2 mtt180 -109.89 -5.49 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.533 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.7 OUTLIER -64.5 143.41 57.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -157.22 156.89 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.749 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 16.2 mt -73.78 130.15 39.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 68.0 m -68.2 160.31 29.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.981 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -53.69 -33.29 54.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.57 -42.03 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -72.25 -42.04 66.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -67.57 -36.81 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -177.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -44.28 73.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.21 -54.99 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.431 1.082 . . . . 0.0 110.981 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -54.41 -46.21 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -175.159 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.12 -26.15 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.2 t -72.0 -30.82 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.581 1.176 . . . . 0.0 110.055 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 90' ' ' PRO . 3.6 mt -81.2 -18.4 46.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 130' ' ' LEU . 41.1 m-85 -139.27 -87.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.08 109.62 2.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.55 26.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.426 1.751 . . . . 0.0 110.998 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 165.43 31.38 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.53 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.094 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.62 144.44 56.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 33.4 m 64.87 151.99 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 120.05 5.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.543 1.812 . . . . 0.0 111.084 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -72.54 167.4 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.991 -1.48 . . . . 0.0 110.419 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.68 ' H48' HD11 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' HG ' ' A' ' 212' ' ' SER . 6.2 p90 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.532 0.206 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -176.89 178.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 245' ' ' LEU . 76.5 p -125.1 135.46 52.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.668 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -76.25 176.07 3.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.917 174.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.96 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.71 -13.76 5.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.3 mt 62.15 105.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 126.43 9.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 14.9 ptpt 170.25 123.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -67.21 167.5 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.16 . . . . 0.0 107.959 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -95.67 -2.58 47.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -129.56 151.86 49.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 p -86.52 -39.43 16.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -77.87 91.44 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.07 . . . . 0.0 109.591 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.46 167.1 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.01 149.92 52.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -141.81 173.75 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -166.15 140.31 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.82 115.87 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.31 -40.53 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -159.75 172.93 16.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.29 -175.22 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.58 144.04 28.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 -177.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -74.97 68.87 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -164.56 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -97.53 158.41 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.04 163.84 34.46 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 170.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.06 -58.5 7.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 -174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 -36.47 53.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.66 -46.21 89.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.73 -52.65 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.37 -36.02 52.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -63.68 -40.6 97.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -177.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.61 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 7.8 t -72.21 -58.59 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 176.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.19 -33.17 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' SER . 14.5 mtpp -79.32 -49.23 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -178.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.15 -36.19 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 15.9 mt -66.95 -51.82 50.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.208 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -58.96 -38.04 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.671 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -52.16 -39.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.7 m95 -89.61 -32.58 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -176.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -54.68 -22.5 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.85 -19.92 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.24 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.574 HG23 HG21 ' A' ' 242' ' ' ILE . 9.7 m -128.98 17.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -172.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 48.1 p -144.8 160.58 46.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 170.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 70.2 mt -61.78 155.94 21.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -131.75 165.04 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 171.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -137.03 125.59 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.5 t -108.34 162.13 14.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.07 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -105.7 147.81 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.21 140.29 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -105.97 -3.3 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -154.63 168.6 26.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.26 -168.48 54.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -108.99 111.44 23.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.257 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.35 160.62 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.31 -36.34 83.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.04 84.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.54 86.01 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.14 139.77 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 m -148.16 161.72 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.928 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.26 148.22 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 172.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -157.58 167.11 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.582 ' O ' ' C ' ' A' ' 149' ' ' ARG . 1.5 m -141.56 -174.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 174.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.582 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER 26.48 -99.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 171.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -95.96 121.69 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.593 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 33.3 p-80 -156.32 32.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 174.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 83.12 -165.75 43.64 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.623 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.8 p30 48.97 -169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 0.803 . . . . 0.0 109.312 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -128.09 22.09 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -172.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.623 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.33 96.11 25.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 165.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.61 ' CE1' ' CE1' ' A' ' 166' ' ' HIS . 4.9 m-30 -112.3 131.99 55.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 159' ' ' GLY . 16.5 t70 -174.46 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 158' ' ' ASP . . . -35.93 135.04 0.58 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -175.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.26 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.398 1.736 . . . . 0.0 110.963 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.35 -121.33 6.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 43.96 -148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.361 175.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 162' ' ' ASN . 2.5 t -34.1 110.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.426 HD11 ' C35' ' A' ' 256' ' ' INH . 9.9 mt -86.01 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.32 145.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.61 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.2 p-80 -120.38 161.94 20.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.18 164.26 36.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.85 161.3 35.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 -174.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -62.52 178.27 0.35 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.83 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 156.85 43.23 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.509 1.794 . . . . 0.0 111.076 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 170.21 -128.02 1.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -66.55 -14.39 62.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -170.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -26.92 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 5.3 m-20 -88.37 167.4 13.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.3 -38.86 2.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.37 160.19 29.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 0.725 . . . . 0.0 109.232 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -131.66 115.28 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.474 ' HB2' ' NE2' ' A' ' 166' ' ' HIS . 4.4 m170 -91.0 124.96 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.55 149.92 22.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.943 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.445 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 47.4 t0 -78.09 104.12 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . 0.404 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -73.23 -24.46 60.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 176.744 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 49.4 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 176.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.33 153.26 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 61.1 tp60 -74.54 156.24 37.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 90.4 m95 -143.91 156.69 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' HA3' ' A' ' 192' ' ' GLY . 26.1 p -139.35 171.96 13.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -108.2 7.0 27.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -175.22 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 26.7 p -77.2 61.54 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 38.8 p -131.01 9.34 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.626 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 179.32 -138.98 3.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 97.3 m -81.18 77.67 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.419 172.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -41.63 105.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.04 -54.87 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.255 -171.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.511 ' CD2' HD21 ' A' ' 229' ' ' LEU . 1.4 t80 -47.41 -49.26 25.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.887 HD22 ' H48' ' A' ' 256' ' ' INH . 0.8 OUTLIER -51.36 -38.53 53.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -178.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.22 -35.73 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.14 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.97 -38.93 86.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -177.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 -56.24 24.8 Favored 'General case' 0 N--CA 1.515 2.789 0 O-C-N 121.205 -0.934 . . . . 0.0 110.819 173.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -52.19 60.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.401 HG22 ' NE1' ' A' ' 124' ' ' TRP . 0.5 OUTLIER -56.61 -39.31 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.221 -179.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.43 -46.18 29.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 111.073 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 95.8 m-70 -68.14 -41.44 81.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 0.813 . . . . 0.0 109.594 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -61.19 -34.7 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 -70.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 166.38 57.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.457 HD12 ' CH2' ' A' ' 124' ' ' TRP . 51.4 mt -139.73 154.68 47.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 0.715 . . . . 0.0 109.323 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 211' ' ' HIS . 46.3 m-85 -143.03 165.37 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 210' ' ' PHE . 60.5 m170 -39.49 126.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.597 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.722 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 33.5 m -97.16 174.45 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -87.51 -41.64 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.87 147.29 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 10.3 t -94.31 -22.83 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -65.43 -24.89 67.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.696 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.913 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -85.19 -13.73 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.331 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.613 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.4 tpp -75.48 -21.83 57.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 176.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 36.0 t80 -49.68 138.35 17.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 176.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.94 57.23 4.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.081 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.96 132.46 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 178.347 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -74.49 142.76 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.23 123.94 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 55.5 p -97.92 -179.32 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.2 tp -142.96 151.79 41.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.9 p -45.97 -44.98 15.39 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.072 . . . . 0.0 110.432 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.17 98.97 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.788 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.62 -22.64 67.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -176.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 230' ' ' THR . 1.7 p -74.89 -5.1 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -106.49 -5.05 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.614 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.66 153.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.6 152.11 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 12.4 mt -72.57 149.02 44.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 176.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.696 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 78.2 p -84.98 167.41 15.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -57.68 -33.03 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -45.7 66.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.95 -48.83 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.54 -38.42 82.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.65 -47.2 67.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.46 -49.93 7.76 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.5 OUTLIER -60.0 -24.58 30.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 0.738 . . . . 0.0 109.338 -175.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.51 -45.22 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 35.9 t -53.8 -28.91 37.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 90' ' ' PRO . 14.9 mt -82.56 -32.69 28.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 2.8 m-85 -140.97 -83.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 88.99 122.68 2.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.98 28.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.76 . . . . 0.0 111.068 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.87 8.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.96 161.06 31.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 43.6 t -153.21 78.01 5.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.67 4.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.777 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.57 -30.07 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.011 -1.471 . . . . 0.0 110.366 179.305 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.887 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.6 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 -61.63 171.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 p -132.52 -109.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.417 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.647 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 177.61 167.59 0.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -177.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.0 85.07 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.013 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.83 6.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -173.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt 66.96 118.35 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.9 126.81 10.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 49.5 pttt 172.73 123.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -65.65 164.36 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -87.66 -3.95 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -172.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 161.43 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.303 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 p -86.25 -29.91 22.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -85.4 102.79 13.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.92 161.63 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -176.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.87 159.6 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -150.92 169.22 22.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -166.31 129.67 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -90.63 111.88 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.21 -42.18 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -173.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -151.9 168.51 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -116.1 -177.28 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -113.92 142.05 27.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.382 -178.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.85 66.79 5.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.021 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -161.6 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.1 158.58 31.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.98 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 110.99 172.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -64.28 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.173 . . . . 0.0 109.368 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 115' ' ' SER . 0.0 OUTLIER -47.28 -39.42 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -178.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.57 -42.44 98.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -173.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.09 -55.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -54.95 -33.17 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' ASP . 5.8 t -62.13 -50.09 73.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -49.65 -38.13 31.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.55 -51.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -49.11 -28.33 4.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.4 mttm -89.67 -50.81 5.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -177.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.79 -46.68 74.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -56.71 -55.19 37.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -62.32 -30.8 71.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.594 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.88 -32.77 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -177.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 94.9 m95 -89.69 -28.22 19.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 108.02 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.19 -24.26 17.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 110.26 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.72 -19.23 52.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.601 HG23 HG21 ' A' ' 242' ' ' ILE . 10.7 m -130.4 17.89 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -174.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.7 p -145.12 158.35 52.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.15 19.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 173.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 31.0 mt -66.44 154.21 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -128.98 167.86 16.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 171.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.06 154.43 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.7 m -155.61 145.11 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -96.91 153.33 17.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.24 154.4 46.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -103.14 -4.19 24.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.51 167.96 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.26 -173.84 54.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -106.55 103.18 12.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.78 163.78 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.01 -46.1 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.3 mt -113.93 91.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.4 mtt -92.15 116.21 28.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.18 140.48 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.35 164.1 38.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.6 m-85 -122.17 147.55 46.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.82 143.19 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.15 157.1 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 169.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 49.93 -166.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.343 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.76 144.02 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.662 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 50.8 p-80 -160.66 36.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.643 -163.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 124.28 -94.34 0.48 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -70.95 -173.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.3 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.0 t80 -90.97 80.97 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -157.56 78.64 3.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.07 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.44 4.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.721 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.2 m-85 -82.53 -169.34 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 177.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 6.9 t0 84.4 115.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.656 1.223 . . . . 0.0 109.263 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 165.89 178.52 38.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.31 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.37 -105.8 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 49.31 -157.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 109.245 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.721 HG12 ' CE1' ' A' ' 157' ' ' PHE . 57.4 t -37.54 116.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 4.5 mt -91.21 -26.02 19.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 175.5 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -173.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.405 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 11.5 p-80 -145.11 170.28 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.618 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -149.62 172.33 15.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -122.26 158.18 30.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.29 166.17 0.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -74.98 123.19 7.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.573 1.828 . . . . 0.0 110.994 -170.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -176.98 169.54 41.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 154.87 42.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.792 . . . . 0.0 110.954 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.08 -120.96 5.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.54 1.15 . . . . 0.0 110.94 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -20.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 0.796 . . . . 0.0 109.256 -172.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.76 159.76 19.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.48 -37.24 2.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.18 146.67 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.242 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -112.47 117.78 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -98.37 130.9 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.534 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 21.8 m-85 -116.49 157.38 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 175.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -77.96 138.87 39.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -25.46 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.38 -25.03 59.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.02 151.55 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.9 155.76 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -139.79 155.91 47.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 108.008 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.6 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 38.2 p -141.54 161.78 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -99.83 14.69 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -163.06 -172.92 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.1 p -85.14 55.61 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 11.0 t -127.34 5.14 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.6 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -156.78 -143.55 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.057 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 194' ' ' ASN . 93.1 m -88.7 71.06 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.409 169.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 193' ' ' THR . 21.9 t-20 -34.91 113.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.52 -41.67 98.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -173.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -61.6 -39.74 92.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -174.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.934 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -62.0 -38.2 87.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 177.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.36 -32.76 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.5 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.78 -41.62 91.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . 0.827 ' CD2' ' H40' ' A' ' 256' ' ' INH . 68.5 t60 -58.23 -56.24 24.56 Favored 'General case' 0 N--CA 1.514 2.758 0 O-C-N 121.195 -0.941 . . . . 0.0 110.898 175.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.83 9.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -48.58 -42.03 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.9 -47.41 79.6 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 56.5 m-70 -62.19 -34.66 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.588 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.1 m -70.65 -39.05 73.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.67 -67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 163.14 45.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.545 HD12 ' CH2' ' A' ' 124' ' ' TRP . 10.9 mt -121.16 168.64 11.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 0.713 . . . . 0.0 109.358 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 40.8 m-85 -159.18 171.54 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -46.14 122.68 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 32.0 m -84.75 174.17 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.963 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.63 -39.48 16.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.419 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 8.4 t30 -59.43 146.5 39.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.7 t -99.42 -9.8 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.68 -4.73 40.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -80.88 159.53 24.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.203 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -82.67 -21.99 34.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 176.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.42 ' N ' HD23 ' A' ' 218' ' ' LEU . 5.9 tpt -72.64 -15.07 61.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 11.6 t80 -59.15 145.26 81.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -16.73 20.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.002 -170.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 140.33 31.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -57.24 153.95 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -161.24 122.69 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.613 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 92.2 p -114.56 173.21 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.8 tp -140.26 147.29 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 6.4 t -47.35 -37.64 11.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.49 104.11 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -67.07 -17.49 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -174.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.6 t -61.51 -9.34 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -111.34 -6.13 14.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.677 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -48.1 145.9 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.2 mtm180 -154.72 151.33 28.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 176.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.801 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.9 mt -69.31 138.99 54.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 42.7 t -77.46 168.57 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.47 -28.06 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.253 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.92 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.26 -47.77 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.691 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -65.11 -35.35 75.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -49.16 -46.22 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.03 -53.96 4.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.9 OUTLIER -54.8 -45.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -174.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.8 m -71.37 -27.11 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 90' ' ' PRO . 2.0 mt -86.56 -16.32 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.481 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 3.7 m-85 -153.57 -82.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 84.64 126.27 1.45 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.452 1.095 . . . . 0.0 110.939 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.81 28.41 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.99 8.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.76 8.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.56 159.01 35.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 4.1 m -162.73 79.02 1.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 73.99 4.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -168.28 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.321 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.061 -1.447 . . . . 0.0 110.412 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.856 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.6 ' N ' ' HG ' ' A' ' 212' ' ' SER . 31.6 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.523 0.201 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -67.87 167.23 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -127.39 134.0 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.95 171.87 0.81 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.14 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.749 . . . . 0.0 110.997 175.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.9 -11.66 3.65 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -173.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mt 66.17 99.54 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 110.949 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt 177.15 123.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -59.77 152.67 22.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.047 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -90.74 -4.25 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -123.8 151.93 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 p -91.35 -31.72 15.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -74.89 76.52 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.627 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.53 158.14 32.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.34 145.72 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.37 169.7 17.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.4 mp -95.57 116.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -40.73 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.18 168.48 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.55 -177.97 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -113.29 141.11 25.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 -177.337 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 69.46 5.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.94 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.6 mt -100.81 159.41 29.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 170.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -60.42 -60.8 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.62 -36.56 62.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -175.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.78 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.33 -56.01 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -51.38 -33.98 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.4 t -60.18 -46.29 90.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.77 -33.1 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.42 -52.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -26.78 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 173.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 45.7 mtpt -90.11 -53.17 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -175.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.52 -48.31 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.88 -52.9 58.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -30.77 71.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -174.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.604 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -58.92 -35.34 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 242' ' ' ILE . 98.0 m95 -86.74 -33.17 20.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -52.01 -27.49 13.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.46 -18.38 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 242' ' ' ILE . 10.6 m -128.72 16.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -170.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 127' ' ' VAL . 2.6 p -151.64 162.84 25.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.426 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -7.52 19.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 110.937 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.442 HD21 ' CE1' ' A' ' 246' ' ' TYR . 71.9 mt -59.64 154.51 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.227 -170.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -136.74 134.53 37.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.75 137.18 47.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -126.9 164.11 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -113.35 153.16 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -132.76 135.29 45.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -89.18 -5.08 57.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.88 176.86 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.78 -149.84 31.99 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.15 100.54 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.793 . . . . 0.0 110.302 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.17 156.09 38.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -36.34 83.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.5 mt -118.47 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.6 mtt -91.15 90.29 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.2 149.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -155.09 158.64 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 23.5 m-85 -122.46 130.32 52.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -149.56 169.01 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.9 m -134.21 -169.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 170.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 38.51 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.18 103.2 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.497 ' CG ' ' OD1' ' A' ' 153' ' ' ASP . 37.7 p-80 -103.87 50.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 -176.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 67.87 63.53 3.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.725 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 4.9 p-10 -178.84 -170.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 -171.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 154' ' ' PHE . 0.4 OUTLIER -125.3 14.73 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.725 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -114.28 93.54 31.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 167.055 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.13 31.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.3 m-30 -107.41 129.91 54.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 177.07 113.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.401 1.063 . . . . 0.0 109.315 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 151.27 144.97 4.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.027 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.1 3.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.47 -119.95 5.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 44.78 -152.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 162' ' ' ASN . 3.0 t -38.11 115.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 193' ' ' THR . 1.7 mt -89.44 -37.18 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.91 144.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -122.69 167.34 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.601 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.28 173.0 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.438 ' OH ' ' CE2' ' A' ' 155' ' ' TYR . 26.1 m-85 -143.01 159.59 41.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -175.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -53.34 162.61 1.13 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -74.95 155.03 43.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -176.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.2 -171.14 28.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.39 37.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.86 -134.58 14.68 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -25.71 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -69.43 139.88 54.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.75 -30.27 6.69 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.555 1.16 . . . . 0.0 110.926 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 157.62 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.91 111.55 9.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -94.33 124.1 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 17.0 m-85 -98.93 145.51 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 43.5 t0 -74.96 107.04 6.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 148' ' ' VAL . 0.4 OUTLIER -74.74 -25.72 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.28 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.8 t70 -69.46 -11.73 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -106.24 141.4 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.02 153.67 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -129.51 157.47 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.569 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 23.6 p -146.67 162.53 38.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -104.24 13.55 32.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -175.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.15 178.82 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.9 p -74.8 68.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 24.9 p -133.71 -52.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.569 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -100.73 -133.9 8.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 176.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 194' ' ' ASN . 52.0 m -94.12 83.93 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 110.408 168.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 193' ' ' THR . 19.1 t-20 -37.1 109.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.39 -54.58 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.554 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -51.11 -41.66 60.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 111.039 -174.549 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.552 HD21 ' C13' ' A' ' 256' ' ' INH . 1.1 tt -60.95 -38.33 85.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.52 -34.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.85 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.8 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.58 -49.62 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . 0.427 ' CE1' ' H44' ' A' ' 256' ' ' INH . 21.4 t60 -52.83 -55.97 19.16 Favored 'General case' 0 N--CA 1.515 2.791 0 O-C-N 121.139 -0.975 . . . . 0.0 110.873 174.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -50.88 -61.41 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.254 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.51 -45.4 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.23 20.58 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.9 m-70 -68.39 -37.89 80.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.381 0.695 . . . . 0.0 109.556 -177.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 72.1 m -68.93 -29.3 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.97 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 242' ' ' ILE . 54.7 mt -73.16 -50.77 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.35 50.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.838 ' CD2' HD12 ' A' ' 242' ' ' ILE . 0.9 OUTLIER -155.08 132.3 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 174.025 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 211' ' ' HIS . 22.2 m-85 -115.84 -178.31 3.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -171.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 210' ' ' PHE . 61.4 m170 -37.82 133.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.568 -170.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 3.6 m -96.21 168.6 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.76 -34.08 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.43 149.47 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.8 p -102.17 -3.85 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.06 -15.65 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.432 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -84.63 152.92 23.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -80.71 -17.44 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.56 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -71.97 -18.85 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 177.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 43.2 t80 -55.61 136.65 70.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.92 61.68 5.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.07 128.81 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 176.213 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.55 149.88 41.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 110.933 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -167.72 122.53 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.576 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 30.1 t -87.92 165.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 227' ' ' THR . 41.9 tp -137.09 126.03 24.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 226' ' ' LEU . 68.2 p -34.23 -62.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 110.381 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.81 87.89 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 13.0 t -67.83 -12.6 60.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -112.5 -5.5 14.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -48.23 145.03 3.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.0 OUTLIER -147.42 160.01 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 177.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.604 HD11 ' CG1' ' A' ' 123' ' ' VAL . 3.5 mt -80.93 133.87 35.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 175.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 51.8 p -67.74 169.0 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.074 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -31.61 64.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.04 -49.5 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.218 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . 0.414 ' CG ' ' HB1' ' A' ' 217' ' ' ALA . 63.2 m-20 -59.56 -40.77 88.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.651 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -71.5 -39.37 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -53.94 -44.2 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -75.32 -56.97 4.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.5 OUTLIER -54.3 -26.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -176.339 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -79.93 -43.03 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 53.9 p -58.83 -27.4 65.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.2 mt -91.02 -16.18 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.442 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.2 m-85 -149.16 -93.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 97.87 118.92 3.89 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.14 23.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.565 1.824 . . . . 0.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 123.41 7.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.086 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.04 7.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 110.958 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.15 148.76 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 35.8 t -155.42 76.89 4.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.004 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 73.74 4.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.48 -34.14 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.424 179.603 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.552 ' C13' HD21 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.8 p90 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.504 0.193 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -145.24 169.83 17.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -138.15 135.88 36.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.59 169.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 172.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.71 6.89 13.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.6 mt 58.02 101.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.376 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.636 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.4 Cg_endo -74.94 129.1 12.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 pttt 178.85 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -69.17 150.65 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.03 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.2 -4.59 59.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 151.61 48.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -90.29 -33.91 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -79.41 84.43 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.44 158.71 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.0 150.46 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -141.58 174.29 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -160.82 149.94 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -109.36 118.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 173.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.92 -40.94 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -159.56 172.5 17.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.26 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -176.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.65 142.78 25.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 -176.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 64.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.583 1.833 . . . . 0.0 110.959 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -157.72 -49.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.37 158.3 34.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.95 163.59 35.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.058 170.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.55 -59.49 5.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.51 -35.48 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.74 -46.27 86.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.01 -53.84 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.9 -39.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.3 t -54.95 -42.89 72.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 -177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.05 67.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.45 -53.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -30.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 115' ' ' SER . 5.8 mtpp -88.48 -53.91 4.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.42 -46.55 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.04 -53.88 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -30.36 71.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -171.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.79 -32.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -178.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.775 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 95.7 m95 -87.44 -24.83 24.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -23.77 40.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 -20.89 55.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -176.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 242' ' ' ILE . 5.5 m -129.5 13.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -171.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 26.0 p -145.09 159.77 48.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 246' ' ' TYR . 51.4 mt -63.04 153.27 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -167.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.5 p -134.74 135.59 42.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 172.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -110.77 147.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -171.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.9 m -143.12 153.71 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.89 152.65 21.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.8 mt -125.71 138.11 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -76.12 -13.36 60.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.97 170.11 15.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.17 160.86 36.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.62 90.59 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.75 167.99 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.45 -36.54 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.8 91.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.01 80.86 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.052 . . . . 0.0 110.977 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.17 141.69 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.9 t -155.28 158.26 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.15 145.05 40.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 174.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.05 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.4 m -105.06 170.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.39 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' VAL . 25.3 ptt85 42.15 -162.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.37 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.27 126.68 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.1 p-80 -134.24 47.01 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.645 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 69.81 -157.51 53.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.533 ' HB2' ' CE1' ' A' ' 155' ' ' TYR . 2.5 p30 48.61 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.3 t80 -101.36 -5.98 24.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -174.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.642 ' CD1' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.57 91.98 35.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 178.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.21 16.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -109.6 157.43 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 173.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -138.77 77.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 54.08 -156.81 6.32 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.587 1.179 . . . . 0.0 111.011 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.33 14.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.72 -162.25 34.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.55 -149.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.444 HG12 ' CE1' ' A' ' 157' ' ' PHE . 35.6 t -37.13 115.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 172.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.65 -41.46 15.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.63 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -171.85 142.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 173.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 0.7 OUTLIER -125.75 158.64 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 -177.491 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.91 163.24 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.384 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.642 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 9.2 m-85 -139.2 156.48 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -55.18 174.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.04 170.16 21.03 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.41 -135.73 4.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -171.75 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.59 -14.53 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 174' ' ' ILE . 0.3 OUTLIER -83.14 -36.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.334 179.514 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.3 m120 -87.5 163.54 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.74 -37.58 2.95 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.549 1.156 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 66.2 t0 -65.7 149.93 49.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -126.41 120.49 29.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 16.3 m170 -98.14 126.08 43.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.569 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 27.9 m-85 -96.71 174.47 6.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 171.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.62 130.27 45.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 -21.86 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.36 51.4 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -161.8 154.2 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 55.7 tp60 -74.7 154.21 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.497 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 92.6 m95 -146.68 156.01 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 192' ' ' GLY . 5.7 p -140.77 177.09 8.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -117.24 26.07 10.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.42 178.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 226' ' ' LEU . 1.5 p -75.04 72.03 2.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 18.5 p -134.02 -48.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.57 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.8 -135.32 5.33 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 194' ' ' ASN . 30.3 m -80.28 79.03 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.388 172.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 193' ' ' THR . 50.0 t-20 -34.82 108.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 69.8 tp -64.73 -65.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.0 OUTLIER -44.82 -49.51 10.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 197' ' ' LEU . 1.6 tm? -55.61 -35.63 66.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.239 -176.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.64 -34.21 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.92 92.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.361 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.817 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.43 -51.59 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -177.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -44.07 -55.38 4.76 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.157 -0.965 . . . . 0.0 110.827 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.63 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 4.7 mt-10 -51.24 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.07 -34.62 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.02 -48.5 38.52 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 96.1 m-70 -67.33 -41.45 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.573 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 45.2 t -55.91 -39.67 71.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.046 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.99 -63.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 156.24 49.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.567 HD12 ' CH2' ' A' ' 124' ' ' TRP . 11.4 mt -122.2 168.92 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -156.45 168.75 26.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -42.88 120.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 58.5 p -86.63 174.45 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.5 -37.48 15.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.05 148.27 44.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 9.5 t -97.67 -19.73 18.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.71 -4.87 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -81.34 -179.48 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.2 OUTLIER -95.38 -43.72 7.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -174.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 93.8 mmm -66.58 -17.04 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 26.7 t80 -43.41 137.55 2.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.0 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.36 133.41 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.8 144.35 56.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.102 . . . . 0.0 110.937 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -169.83 124.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.599 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.51 ' OG ' HG22 ' A' ' 190' ' ' THR . 1.6 t -120.38 134.52 55.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.671 ' O ' HG21 ' A' ' 190' ' ' THR . 46.3 tp -82.77 130.01 35.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 226' ' ' LEU . 60.1 m -36.46 -60.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.17 90.7 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.83 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -62.1 -24.53 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -175.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.443 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -63.34 -19.26 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -177.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -97.78 -5.52 34.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.713 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 8.5 t80 -47.0 152.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -158.0 158.23 34.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.775 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 61.4 mt -83.28 127.94 34.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 173.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 36.3 t -73.53 166.51 23.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -35.83 70.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 -174.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.29 -44.29 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.07 -41.65 73.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.683 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.5 mp -68.9 -35.63 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -44.42 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -81.94 -53.14 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.7 OUTLIER -54.3 -46.2 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -174.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -26.64 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -175.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 29.5 t -72.56 -30.41 64.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.4 mt -84.06 -17.75 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 130' ' ' LEU . 51.2 m-85 -137.87 -87.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.95 110.92 2.4 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 168.36 25.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 164.88 32.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 177.87 7.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.86 165.79 22.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -58.63 -54.51 55.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -176.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.93 70.48 5.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.017 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -71.97 101.65 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.019 -1.467 . . . . 0.0 110.451 179.737 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.531 ' H48' HD11 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.68 ' N ' ' HG ' ' A' ' 212' ' ' SER . 2.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.526 0.203 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -177.81 177.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.218 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.5 p -116.15 136.07 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.628 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 172.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.628 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.03 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 -173.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.91 -10.73 6.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -170.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.0 mt 63.95 112.67 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.312 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.816 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -74.99 128.45 11.5 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.1 pttp 173.75 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.41 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 61.0 m95 -73.94 156.79 37.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.011 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.13 -3.69 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -141.03 155.19 46.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -178.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 p -89.14 -28.85 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -74.22 80.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD11 HD13 ' A' ' 130' ' ' LEU . 45.7 mt -78.75 157.19 28.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -175.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.21 154.3 49.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.357 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -149.26 171.01 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 110.964 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -160.92 145.34 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.62 117.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.45 -39.31 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -162.64 173.39 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.35 -168.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -114.82 142.05 27.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -177.349 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.1 Cg_endo -75.06 67.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -161.97 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -101.39 159.2 30.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 163.43 35.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 170.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -63.14 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -174.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.12 -37.44 54.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.76 -46.56 84.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.39 -51.93 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.61 -34.26 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.2 t -64.13 -41.97 97.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -57.52 -36.52 71.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.87 -55.14 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.44 -31.11 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 36.3 mtpt -82.25 -55.06 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.99 -38.55 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.57 -49.25 71.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.755 HG13 HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.81 -34.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -178.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.891 ' CE3' HD13 ' A' ' 242' ' ' ILE . 82.9 m95 -91.69 -34.57 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -57.53 -23.21 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 110.265 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -17.53 51.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 242' ' ' ILE . 20.0 m -126.91 20.67 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -174.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 242' ' ' ILE . 68.3 p -146.59 159.36 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.393 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.961 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 97' ' ' LEU . 29.2 mt -60.66 153.05 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -172.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 134.25 40.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -103.67 130.77 51.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.968 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -120.6 150.96 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.081 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -91.82 156.11 17.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.4 mt -134.59 115.4 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -60.74 -22.47 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.53 165.06 21.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.69 173.64 24.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.8 99.68 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.09 162.04 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.43 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -63.17 -47.84 80.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -178.199 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.23 86.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.64 95.68 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.85 144.34 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -155.1 163.35 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -118.19 137.63 52.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 173.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.64 ' HB1' ' CB ' ' A' ' 151' ' ' HIS . . . -148.41 167.27 25.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -175.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.526 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 2.3 m -137.11 174.94 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 171.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 148' ' ' VAL . 0.9 OUTLIER 33.67 -145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 178.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.49 100.75 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.64 ' CB ' ' HB1' ' A' ' 147' ' ' ALA . 36.1 p-80 -107.73 8.36 28.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.632 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 157.26 -90.74 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 4.7 t0 -72.34 -171.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -92.33 75.93 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.573 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.7 67.25 4.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ARG . 18.2 Cg_endo -75.02 131.32 14.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.415 1.745 . . . . 0.0 110.973 -171.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 8.5 m-30 -87.2 128.55 35.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.93 -76.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -171.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.18 2.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.43 24.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.13 -162.91 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -157.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.65 118.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.468 HD11 ' C35' ' A' ' 256' ' ' INH . 13.6 mt -86.97 -36.63 18.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 180' ' ' PHE . . . -171.37 144.74 2.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 173.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.411 ' C ' ' CD2' ' A' ' 166' ' ' HIS . 0.7 OUTLIER -118.69 174.1 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 176.147 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.97 164.25 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 176.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -114.61 171.32 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -67.52 171.13 5.49 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 177.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -74.99 149.5 36.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 141.86 178.26 17.8 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 162.55 37.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.402 1.738 . . . . 0.0 110.975 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 76.55 -133.0 13.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 174.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -26.3 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -177.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.63 151.28 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.75 -32.89 4.37 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.5 39.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.715 . . . . 0.0 109.353 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.4 111.31 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -95.45 121.76 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 165' ' ' ALA . 22.1 m-85 -91.46 155.01 18.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.405 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 56.5 t0 -82.34 105.48 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.32 -24.33 59.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.415 ' H ' HG12 ' A' ' 148' ' ' VAL . 0.6 OUTLIER -82.38 47.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.279 176.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.79 150.68 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 0.0 110.264 -177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -74.6 155.18 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.342 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.83 156.71 45.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 108.023 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 12.5 p -144.97 159.87 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.47 28.19 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.13 177.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.4 p -69.96 74.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.6 p -139.73 -48.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -108.96 -132.55 6.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 194' ' ' ASN . 22.5 m -91.38 89.06 7.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 0.723 . . . . 0.0 110.383 168.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 193' ' ' THR . 18.2 t-20 -42.76 111.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.14 -45.67 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -60.96 -38.35 85.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -174.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 218' ' ' LEU . 0.3 OUTLIER -61.69 -38.52 88.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.34 -32.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.16 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.762 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -62.4 -47.91 82.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -49.8 -55.95 12.19 Favored 'General case' 0 N--CA 1.514 2.737 0 O-C-N 121.153 -0.967 . . . . 0.0 110.899 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.407 ' OE1' ' CE2' ' A' ' 180' ' ' PHE . 3.1 mt-10 -50.51 -63.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 110.373 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.91 -36.68 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -45.5 -45.17 11.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 29.8 m-70 -66.17 -40.18 90.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.581 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.9 t -62.16 -44.57 96.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 242' ' ' ILE . 39.4 mt -70.38 -53.47 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -172.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 209' ' ' LEU . . . 144.61 56.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 172.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 1.015 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -153.46 141.03 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.325 166.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 211' ' ' HIS . 41.5 m-85 -118.22 -175.37 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 210' ' ' PHE . 55.3 m170 -37.93 126.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.68 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 3.0 m -95.08 173.31 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -84.81 -42.33 15.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.296 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.56 148.53 23.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 64.2 p -95.97 -26.09 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.38 -15.89 60.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.52 159.61 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -90.36 -27.83 19.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -176.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.544 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -63.45 -18.79 64.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 178.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.44 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 44.8 t80 -59.9 138.16 90.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 64.39 6.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -177.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.16 139.39 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -75.6 144.74 41.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -171.83 123.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.1 t -100.84 135.23 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.81 164.0 27.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.2 p -41.81 -35.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -145.03 116.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.364 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.765 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -68.51 -22.58 64.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -174.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.78 -14.03 61.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -114.27 -5.58 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.707 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -43.22 143.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.476 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 2.8 ttp180 -143.94 161.63 38.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 176.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -84.57 135.66 34.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 177.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 39.2 t -68.69 168.19 13.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.28 70.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -55.08 -44.48 74.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.14 -51.83 61.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.788 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -61.06 -35.86 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 239' ' ' ILE . 32.2 t-20 -36.48 -48.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.64 -50.11 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 1.015 HD12 HD21 ' A' ' 209' ' ' LEU . 0.1 OUTLIER -59.62 -19.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -174.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.84 -43.85 7.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 28.9 t -58.42 -36.47 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 110.006 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.2 mt -84.92 -15.56 44.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.41 ' CE1' HD21 ' A' ' 130' ' ' LEU . 19.8 m-85 -150.83 -93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.29 127.1 1.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 166.69 28.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.3 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 111.091 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -65.91 154.9 38.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 67.6 m 48.88 70.27 2.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.063 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 71.11 5.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.043 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.2 -46.29 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.031 -1.461 . . . . 0.0 110.397 179.602 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.632 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.487 0.184 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -69.7 -179.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -148.9 144.19 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 169' ' ' ALA . 0.2 OUTLIER -57.15 169.71 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 170.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 173.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.21 -9.21 4.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 245' ' ' LEU . 67.7 mt 67.51 103.22 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.514 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.3 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.8 pttt 178.93 122.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.41 143.86 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -80.33 -8.43 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -114.07 155.9 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.6 p -93.62 -32.16 14.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -80.98 89.72 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 130' ' ' LEU . 50.9 mt -87.3 161.56 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.01 152.77 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -146.3 176.11 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -165.42 151.47 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG21 ' A' ' 117' ' ' VAL . 2.0 mm -108.83 116.42 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.98 -43.06 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 13.9 p-10 -152.98 170.94 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -133.34 156.14 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -76.21 144.06 74.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -175.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.94 74.04 4.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.94 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.364 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.61 157.46 35.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.584 1.178 . . . . 0.0 109.276 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.509 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -74.99 163.87 34.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 170.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.47 -60.89 3.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.16 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.49 -46.14 87.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.243 -176.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.4 -51.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.43 -34.83 62.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -60.48 -43.56 96.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.97 -45.16 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 101' ' ' ILE . 31.1 t -68.67 -54.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -43.65 -37.88 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.5 mttt -74.12 -51.95 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.83 -36.26 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.3 mt -67.22 -52.79 36.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.76 -34.78 76.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.615 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -54.04 -40.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.716 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.9 m95 -84.57 -31.83 24.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.99 -24.52 39.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -19.14 58.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 6.4 m -130.68 18.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.429 ' CG2' HG12 ' A' ' 242' ' ' ILE . 75.8 p -145.77 159.97 45.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 170.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.22 21.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.622 HD13 HD11 ' A' ' 97' ' ' LEU . 84.4 mt -57.51 154.68 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -136.45 134.54 37.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.47 124.82 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -105.99 163.34 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 144.47 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.89 133.46 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -97.52 -4.72 37.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -152.7 164.7 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.34 174.0 45.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.09 . . . . 0.0 111.049 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -92.93 95.47 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.297 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.82 162.02 7.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.69 -37.2 86.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.3 mt -115.4 84.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.69 84.45 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.43 137.35 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 t -151.39 163.88 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -175.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -116.08 156.85 25.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -158.87 142.72 15.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 183' ' ' ASP . 11.6 m -107.92 159.23 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 48.4 -156.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.6 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.5 p-80 -135.43 26.47 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.635 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 87.08 -161.64 33.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 152' ' ' GLY . 2.3 p30 48.75 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 0.811 . . . . 0.0 109.339 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.5 t80 -97.26 -4.83 38.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' A' ' 168' ' ' TYR . 0.0 OUTLIER -116.51 85.5 16.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 177.187 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 1.7 m-85 -113.34 -178.37 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 172.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 0.9 OUTLIER 158.76 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 172.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -55.29 148.86 24.37 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -169.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 149.93 37.95 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.573 1.828 . . . . 0.0 111.063 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.45 -139.13 28.61 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 45.51 -151.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.335 178.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 157' ' ' PHE . 3.6 t -34.91 113.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 174.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.485 HD11 ' C35' ' A' ' 256' ' ' INH . 13.9 mt -89.98 -35.32 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -173.76 142.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.0 p-80 -133.64 161.35 34.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.58 174.61 15.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.2 OUTLIER -141.55 137.01 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 -175.261 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.712 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . . . -56.86 155.4 15.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.72 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -171.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -164.12 -86.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.071 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -81.48 -12.41 81.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 -171.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 174' ' ' ILE . 0.0 OUTLIER -90.9 -17.61 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.731 . . . . 0.0 109.23 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -85.93 174.01 9.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 91.23 -32.38 5.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.13 27.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.62 121.03 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -96.86 124.66 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.573 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 22.3 m-85 -105.8 162.85 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.976 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.55 127.15 36.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.5 -13.51 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 148' ' ' VAL . 1.1 t0 -92.38 36.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.07 165.54 27.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -82.48 154.85 24.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -149.2 153.44 37.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.585 HG21 ' N ' ' A' ' 192' ' ' GLY . 3.1 p -139.47 178.04 7.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -115.44 19.7 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.39 177.81 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 p -74.79 71.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 19.2 p -133.24 -46.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.417 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.585 ' N ' HG21 ' A' ' 187' ' ' THR . . . -118.9 -133.14 4.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 194' ' ' ASN . 98.5 m -86.54 74.23 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.433 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 193' ' ' THR . 38.8 t30 -39.69 107.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.4 tp -56.42 -49.82 73.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -51.18 -44.38 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.823 HD22 ' H48' ' A' ' 256' ' ' INH . 0.8 OUTLIER -55.94 -39.17 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.03 -32.97 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.86 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.777 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.36 -48.27 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -56.6 -51.08 70.03 Favored 'General case' 0 N--CA 1.515 2.798 0 O-C-N 121.18 -0.95 . . . . 0.0 110.883 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 5.5 mm-40 -51.1 -59.97 3.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.78 -36.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.25 -46.4 43.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.875 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 67.8 m-70 -63.9 -37.89 89.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.9 t -69.61 -27.94 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.03 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.46 -101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -148.82 25.03 1.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 19.0 mt -122.38 169.23 11.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.621 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 17.2 m-85 -146.08 -55.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.387 1.055 . . . . 0.0 110.982 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 35.6 m170 -152.76 154.5 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 -178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 m -124.16 166.92 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.47 -30.71 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.75 148.1 40.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 8.7 t -95.77 -17.48 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.443 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.23 -23.89 63.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 238' ' ' ASP . . . -79.28 159.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -177.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -88.03 -20.08 26.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.5 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.7 tpt -69.38 -18.7 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 178.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.575 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 57.7 t80 -51.82 138.62 32.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 176.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 62.31 5.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.5 OUTLIER -168.27 132.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 176.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -51.44 154.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -139.71 168.31 20.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 1.061 . . . . 0.0 109.547 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 65.4 p -166.63 164.21 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.015 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.58 154.0 33.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.5 m -50.42 -34.55 24.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -139.75 105.93 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -68.61 -23.46 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -175.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.487 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -64.42 -10.5 25.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -106.61 -5.48 18.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.686 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.2 OUTLIER -58.22 145.85 35.91 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 5.2 ttt180 -155.84 155.79 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.716 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 21.8 mt -71.59 131.42 43.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 84.2 p -73.34 166.69 22.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -36.21 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.7 -43.04 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . 0.669 ' OD1' ' HB1' ' A' ' 217' ' ' ALA . 86.1 m-20 -70.72 -42.16 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -174.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -67.82 -35.97 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -51.0 -43.34 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.46 -58.97 2.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -53.12 -45.67 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.328 -174.215 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.05 -24.7 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 45.0 t -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 89' ' ' ILE . 1.2 mt -79.12 -20.01 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 130' ' ' LEU . 32.3 m-85 -144.38 -90.6 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.74 116.7 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.77 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.409 1.742 . . . . 0.0 111.018 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.97 32.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.38 8.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.56 144.5 51.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 56.8 m 48.04 68.09 3.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 64.5 6.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -104.08 143.79 32.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.995 -1.479 . . . . 0.0 110.448 -179.678 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.823 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.0 p90 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.495 0.188 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -151.52 171.55 17.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -134.55 134.55 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.72 171.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.88 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.07 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.9 -10.8 4.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.4 mt 66.31 102.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.328 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 pttp 178.96 122.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.25 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -63.54 150.99 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 107.989 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -85.41 -3.68 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.08 153.69 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -87.01 -31.61 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -74.95 86.03 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.58 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.9 mt -83.5 160.37 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.35 156.75 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -149.5 171.48 16.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -160.46 147.09 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.97 117.21 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.358 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.72 -38.43 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -163.0 168.31 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 -166.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -175.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.88 139.19 23.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 59.43 5.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -154.74 -47.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.13 157.71 33.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.02 168.31 25.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.29 -64.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -36.25 20.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.37 -46.24 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.16 -53.78 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.14 -35.87 60.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 119' ' ' LYS . 4.0 t -59.07 -48.8 80.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.24 -37.44 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.93 -51.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -47.27 -29.91 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 11.1 mttm -89.0 -51.66 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.33 -43.19 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.228 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.2 -54.34 45.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -32.37 72.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.186 . . . . 0.0 109.379 -172.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.28 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 242' ' ' ILE . 96.7 m95 -88.8 -31.37 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.53 -23.17 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.07 -18.25 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 128' ' ' THR . 13.2 m -128.72 14.75 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -173.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -155.68 161.61 29.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 169.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.08 19.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 246' ' ' TYR . 60.7 mt -60.63 152.76 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.6 p -130.88 167.53 18.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.369 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.01 155.32 50.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.3 m -154.24 146.88 24.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.927 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -92.53 150.49 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.363 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.97 113.5 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.73 -23.7 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -157.19 167.96 28.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.93 -176.87 29.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.15 104.88 15.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.557 0.798 . . . . 0.0 110.353 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.13 164.01 21.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.2 87.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.8 mt -112.65 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.59 92.17 8.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.04 142.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -149.36 157.07 43.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.078 . . . . 0.0 110.01 -176.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 13.0 m-85 -119.23 144.14 46.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.4 144.45 10.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.81 156.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 49.53 -173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 110.281 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.6 140.22 8.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.694 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 24.0 p-80 -147.11 30.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.579 -166.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 128.22 -91.51 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.483 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.9 OUTLIER -71.01 -173.44 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -176.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.5 t80 -87.12 76.71 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -152.25 72.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 174.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.28 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -168.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.499 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -47.03 158.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 166.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.19 -70.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 177.13 -132.3 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.3 24.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.36 -155.29 43.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 50.0 -153.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 178.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.499 HG12 ' CE1' ' A' ' 157' ' ' PHE . 25.6 t -37.26 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 175.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.513 HD21 ' H69' ' A' ' 256' ' ' INH . 21.7 mt -81.52 -42.65 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.569 ' HB1' ' CD ' ' A' ' 202' ' ' GLU . . . -173.05 143.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.356 176.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -123.69 166.85 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.82 166.86 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.73 153.32 50.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -51.43 170.5 0.21 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -75.03 157.62 42.55 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 163.19 -130.4 2.23 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.912 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.86 -17.05 60.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.403 1.064 . . . . 0.0 110.988 -169.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 4.3 tp -82.4 -32.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.261 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 7.2 m-20 -90.03 160.21 16.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 86.13 -36.27 3.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.63 158.54 29.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 0.813 . . . . 0.0 109.267 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -132.55 121.49 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -104.15 123.11 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.573 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.562 ' CZ ' ' OE1' ' A' ' 202' ' ' GLU . 28.3 m-85 -98.66 171.28 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 174.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -97.89 132.48 43.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -18.93 17.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.39 51.84 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -172.08 147.15 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 186' ' ' TRP . 48.7 tp60 -71.54 153.62 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 110.219 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.512 ' N ' ' HG3' ' A' ' 185' ' ' GLN . 89.0 m95 -136.26 157.06 47.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 108.066 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.613 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -135.61 171.25 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -113.1 19.23 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.85 177.73 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 16.8 p -76.83 66.55 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 110.433 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.1 p -127.54 -50.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.613 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -113.19 -134.39 6.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.044 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.492 HG21 HD22 ' A' ' 164' ' ' LEU . 94.9 m -85.08 84.58 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 0.728 . . . . 0.0 110.459 171.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -49.66 108.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.84 -43.69 97.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -60.7 -40.17 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.827 HD22 ' H48' ' A' ' 256' ' ' INH . 0.6 OUTLIER -61.75 -38.32 87.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.59 -33.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -58.54 -50.15 74.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -48.07 -58.89 3.86 Favored 'General case' 0 N--CA 1.515 2.794 0 O-C-N 121.208 -0.932 . . . . 0.0 110.877 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.569 ' CD ' ' HB1' ' A' ' 165' ' ' ALA . 3.1 mt-10 -51.44 -60.87 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.41 -39.56 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.68 -46.04 47.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 93.1 m-70 -64.06 -43.94 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.659 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 69.2 m -57.11 -41.12 78.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 242' ' ' ILE . 75.6 mt -65.47 -58.82 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.09 52.69 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 242' ' ' ILE . 0.4 OUTLIER -155.93 142.63 18.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 172.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -119.09 -177.05 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -172.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -41.74 137.73 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.628 -173.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 213' ' ' ALA . 96.0 p -90.01 -105.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 212' ' ' SER . . . -174.92 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.83 147.73 37.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 14.2 t -88.59 -20.61 24.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.438 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.37 -18.02 59.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -76.26 171.76 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -104.95 -36.15 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -176.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.89 -18.61 63.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.539 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 13.1 t80 -44.07 144.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -75.03 -39.77 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 222' ' ' LEU . 1.9 tm? -73.28 131.02 41.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . 0.401 ' N ' HD13 ' A' ' 222' ' ' LEU . 39.6 t80 -48.19 152.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -149.09 160.33 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.539 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 31.6 t -158.98 179.73 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 226' ' ' LEU . 12.9 tp -153.1 147.61 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.3 t -56.73 -28.03 60.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -141.47 108.18 5.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -86.35 -17.08 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -171.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 4.9 p -64.16 -6.02 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -117.81 -5.89 11.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.706 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -44.64 144.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -177.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.468 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 1.9 ttt85 -151.43 157.17 42.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 123' ' ' VAL . 11.5 mt -77.52 136.85 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 176.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 46.6 t -77.71 166.62 22.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -34.02 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -55.48 -41.07 72.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -75.29 -43.08 53.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.652 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -65.79 -33.92 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 -177.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -47.44 -47.56 26.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -80.3 -55.97 3.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -173.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 209' ' ' LEU . 0.6 OUTLIER -51.13 -47.45 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.279 -175.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.49 60.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.4 t -70.92 -32.82 69.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.013 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.26 -16.91 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.467 ' CE1' HD21 ' A' ' 130' ' ' LEU . 33.8 m-85 -148.59 -90.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 98.41 120.03 4.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.77 26.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.47 7.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.758 . . . . 0.0 111.035 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.62 161.3 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.371 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 36.3 t -65.57 142.4 98.28 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.092 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.51 12.65 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.514 1.797 . . . . 0.0 110.97 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -67.52 -24.42 65.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.361 178.139 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.827 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 p90 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.527 0.203 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -171.56 175.32 4.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.332 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.1 p -130.52 135.57 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.55 171.65 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 170.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 3.61 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.11 8.62 8.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp 54.17 95.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 129.02 11.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.052 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 176.11 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -62.82 146.99 51.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 108.011 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -81.71 -3.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.57 157.86 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 p -89.92 -30.09 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -77.66 87.7 3.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.61 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 130' ' ' LEU . 24.6 mt -86.11 152.59 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -178.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.04 150.4 48.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -144.65 173.59 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -161.42 152.46 18.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.68 116.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 172.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.27 -41.08 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -157.45 172.83 17.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -128.95 -176.81 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -106.72 143.52 27.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -175.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -74.96 63.71 5.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -158.13 -48.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 108' ' ' LEU . 24.0 mt -102.34 158.75 31.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 171.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -65.96 -59.6 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.4 -37.03 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.56 -45.89 90.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -175.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.25 -52.05 52.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -33.5 52.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.7 t -65.45 -42.91 91.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.76 -39.87 71.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 13.3 t -71.21 -56.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 177.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -44.6 -33.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' SER . 37.2 mtpt -79.08 -50.09 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.191 . . . . 0.0 109.306 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.79 -36.96 67.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 14.1 mt -66.67 -50.45 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.676 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.5 t -52.96 -40.23 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.877 ' CE3' HD13 ' A' ' 242' ' ' ILE . 76.8 m95 -85.13 -33.34 22.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.4 -22.71 54.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.08 -19.02 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.522 HG11 ' CG1' ' A' ' 239' ' ' ILE . 13.3 m -127.79 19.47 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.286 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.451 ' CG2' HG12 ' A' ' 242' ' ' ILE . 33.5 p -145.35 157.64 52.47 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 169.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -8.3 20.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.017 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.539 HD13 HD11 ' A' ' 97' ' ' LEU . 57.3 mt -59.81 154.66 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 -171.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -133.38 134.72 44.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.416 ' HB3' HD13 ' A' ' 121' ' ' LEU . 95.3 m-85 -107.25 147.5 30.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -142.54 147.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -99.01 148.82 23.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.236 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.15 121.97 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -60.79 -25.59 66.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 111.05 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.47 163.12 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 122.93 -147.22 16.71 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -128.51 81.14 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 0.808 . . . . 0.0 110.319 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.34 156.61 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.32 -56.12 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mt -98.71 91.87 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.87 87.33 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.412 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.6 mp -74.88 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -149.75 168.35 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -125.48 154.1 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -163.89 143.06 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.9 157.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 50.74 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -47.1 111.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 153' ' ' ASP . 55.5 p-80 -111.26 47.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 170.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 153' ' ' ASP . . . 71.83 -153.53 50.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -172.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.3 p30 48.64 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 174.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.7 t80 -107.72 1.43 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -174.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.568 ' CD2' ' OH ' ' A' ' 168' ' ' TYR . 0.1 OUTLIER -116.95 94.99 45.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.0 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.431 1.753 . . . . 0.0 111.001 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.48 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -141.83 -170.27 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 -179.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 10.5 t70 81.09 115.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.187 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 171.7 178.96 42.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 80.4 2.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.999 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.19 -102.8 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.32 -155.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.254 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.48 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.1 t -39.37 123.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -38.19 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.469 ' HB3' ' CD ' ' A' ' 202' ' ' GLU . . . -170.51 145.87 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.47 168.16 20.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.639 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -153.76 177.86 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.568 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 57.5 m-85 -147.7 152.31 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -47.95 173.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.95 157.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.095 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 162.47 -136.2 4.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.389 1.056 . . . . 0.0 111.023 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -168.87 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.7 56.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -168.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.58 -34.66 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 9.2 m120 -91.39 154.49 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.66 -36.93 3.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 16.1 t0 -72.85 144.71 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -113.31 123.25 49.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -97.52 127.76 43.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.653 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 202' ' ' GLU . 17.1 m-85 -112.78 160.97 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.076 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 15.4 t0 -87.41 135.15 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 173.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.93 -23.67 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -18.13 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 154.19 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.33 156.26 37.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -144.49 153.71 42.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 107.959 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.677 HG21 ' N ' ' A' ' 192' ' ' GLY . 25.1 p -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 176.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -97.27 -20.46 17.87 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -141.91 -166.23 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.0 p -76.13 74.69 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.1 p -131.85 -47.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.677 ' N ' HG21 ' A' ' 187' ' ' THR . . . -123.11 -131.57 3.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 111.03 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 194' ' ' ASN . 99.5 m -82.61 79.33 9.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 56.3 t-20 -41.18 111.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.17 -56.8 16.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.522 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.3 t80 -47.91 -50.02 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -175.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.947 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -50.19 -38.22 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.923 HG12 ' OE1' ' A' ' 202' ' ' GLU . 61.6 t -79.01 -38.83 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.948 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.94 -47.27 81.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -50.24 -50.86 48.66 Favored 'General case' 0 N--CA 1.515 2.788 0 O-C-N 121.183 -0.948 . . . . 0.0 110.839 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.923 ' OE1' HG12 ' A' ' 198' ' ' VAL . 1.8 mp0 -52.33 -63.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 mp -49.52 -41.71 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.31 -46.97 43.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 80.1 m-70 -64.28 -36.65 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.549 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.9 m -67.94 -34.48 76.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 242' ' ' ILE . 49.2 mt -75.08 -87.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -175.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . 0.593 ' C ' HD23 ' A' ' 209' ' ' LEU . . . -174.55 42.16 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 242' ' ' ILE . 0.1 OUTLIER -154.03 139.04 17.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.473 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 6.6 m-85 -116.05 -67.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -169.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -138.94 137.69 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.566 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 t -101.82 166.28 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -81.66 -20.18 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -78.6 147.87 33.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 11.1 t -105.06 -1.13 26.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.397 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.85 -5.0 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.495 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -85.21 151.84 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.948 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -75.99 -14.04 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.44 ' N ' HD23 ' A' ' 218' ' ' LEU . 7.4 tpt -82.42 -7.07 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.548 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 35.2 t80 -74.85 144.09 79.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.96 59.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.8 tp -167.63 135.44 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.2 145.51 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.34 123.88 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.675 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 49.9 m -111.31 169.51 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.081 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 18.9 tp -142.14 151.96 42.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.3 t -49.42 -36.58 22.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.47 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -138.59 106.29 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.23 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.816 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -65.75 -23.67 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -176.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.402 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.24 -19.72 65.56 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.181 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.699 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 5.2 t80 -44.91 154.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -157.57 157.12 33.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.676 HD11 ' CG1' ' A' ' 123' ' ' VAL . 25.2 mt -77.63 145.97 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 92.5 p -70.38 163.9 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.45 -26.61 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -42.14 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.53 -46.23 86.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.7 mp -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -48.58 -44.88 37.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.18 -61.89 2.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.877 HD13 ' CE3' ' A' ' 124' ' ' TRP . 1.0 OUTLIER -53.59 -46.42 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.36 -174.017 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -25.51 62.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -175.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 t -73.38 -35.7 65.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.22 -23.11 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.423 ' CE1' HD21 ' A' ' 130' ' ' LEU . 34.4 m-85 -139.72 -88.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 92.82 118.7 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 166.35 29.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.88 32.47 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.787 . . . . 0.0 110.954 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.43 7.26 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.49 161.33 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.3 OUTLIER -58.63 -54.13 59.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -176.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.5 Cg_endo -74.96 73.56 4.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.53 137.22 57.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.046 -1.454 . . . . 0.0 110.365 -179.18 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.929 ' H36' ' C16' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.751 ' N ' ' HG ' ' A' ' 212' ' ' SER . 2.4 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.432 0.158 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -57.68 169.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.257 -177.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -123.45 173.91 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.356 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 210' ' ' PHE . 0.1 OUTLIER -88.9 170.4 11.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 176.647 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.92 124.56 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 111.043 -176.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.05 -2.16 78.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -174.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt 46.57 73.89 0.91 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.327 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.6 13.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 173.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -166.14 146.56 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -176.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -53.46 148.21 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -96.5 -3.94 42.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -174.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -121.7 154.15 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 p -91.36 -32.38 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 178.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -74.97 76.7 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.609 178.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.23 154.14 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -176.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.27 146.73 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 176.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -141.45 168.16 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -165.39 140.87 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 110.33 -174.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -93.48 121.2 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 177.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.9 t -81.36 -40.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -159.6 170.32 21.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -124.19 -176.22 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -177.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.83 142.08 25.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.371 -177.5 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.6 Cg_endo -74.97 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 178.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -160.45 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -178.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -103.07 159.43 29.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.08 165.73 30.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.941 170.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -51.9 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -171.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.32 -36.43 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -178.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.03 -46.44 87.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.7 -52.64 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -178.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -33.15 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -64.15 -43.88 93.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.72 76.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.35 -53.08 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -34.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 172.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 196' ' ' PHE . 6.0 mtpm? -80.84 -55.86 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -177.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.22 -40.71 64.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -177.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 132' ' ' PHE . 94.1 mt -62.57 -51.06 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -34.37 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -175.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -54.91 -36.66 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.569 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.724 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 88.5 m95 -85.73 -33.81 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.21 -24.35 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 177.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.44 -19.11 59.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.631 HG23 HG21 ' A' ' 242' ' ' ILE . 6.6 m -131.32 16.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -172.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.3 p -144.82 159.72 49.45 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 171.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -8.79 20.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 173.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.545 HD21 ' CZ ' ' A' ' 246' ' ' TYR . 79.9 mt -59.59 155.47 15.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -170.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 p -137.72 134.85 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 173.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 121' ' ' LEU . 82.7 m-85 -112.02 136.84 50.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -172.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.4 m -127.22 147.15 50.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 178.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -90.89 149.44 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -130.71 128.75 41.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 177.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -88.95 -5.99 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -155.7 177.2 11.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 177.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.68 -155.54 43.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.01 105.58 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.66 156.03 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.38 -37.08 85.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 -177.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 mt -116.31 84.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.38 85.57 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.12 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -173.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -142.42 162.93 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -174.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 22.4 m-85 -122.4 146.7 47.11 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.479 1.112 . . . . 0.0 110.919 177.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -159.98 -179.81 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 178.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 149' ' ' ARG . 14.5 m -136.42 161.78 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -178.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.561 ' CG ' HG23 ' A' ' 148' ' ' VAL . 0.1 OUTLIER 29.3 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 176.161 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 148' ' ' VAL . 10.4 tp10 -96.59 135.59 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 -175.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.738 ' CE1' ' CE1' ' A' ' 155' ' ' TYR . 22.9 p-80 -158.69 35.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 173.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 155' ' ' TYR . . . 87.03 -166.02 36.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.598 ' CG ' HD11 ' A' ' 174' ' ' ILE . 0.0 OUTLIER 44.17 -159.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.362 176.842 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -124.96 77.01 1.58 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.738 ' CE1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -159.7 76.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 176.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 95.26 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -168.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 163' ' ' VAL . 2.1 m-85 -47.76 157.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 171.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.68 -60.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -176.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 149.5 -121.39 1.28 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -177.335 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 110.14 3.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.13 -153.67 21.2 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -175.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.18 -153.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 178.753 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 157' ' ' PHE . 73.0 t -35.23 108.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.372 177.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.439 HD11 ' C35' ' A' ' 256' ' ' INH . 14.3 mt -79.68 -41.0 27.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 174.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.405 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -169.4 142.71 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 178.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 2.8 p-80 -130.65 167.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -154.08 158.61 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.76 164.09 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -83.1 154.36 67.05 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 168.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 109.98 3.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -171.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -143.05 -93.93 0.19 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 179.73 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -78.38 -12.29 84.44 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 -173.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -85.06 -24.55 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.611 0.83 . . . . 0.0 109.307 178.665 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 12.1 m-20 -86.32 173.81 9.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.88 -41.03 2.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 64.6 t0 -65.22 143.13 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -108.45 123.12 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -104.26 121.0 42.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -173.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.512 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 31.8 m-85 -102.27 161.44 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 176.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -89.07 120.72 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 176.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.62 -18.06 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 177.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -91.62 50.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -175.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.74 167.07 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 173.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -78.41 156.21 29.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 -175.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.452 ' HZ3' HG21 ' A' ' 198' ' ' VAL . 97.4 m95 -140.14 158.58 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.99 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.601 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.1 p -145.43 171.67 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -120.62 26.39 9.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -177.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -170.04 176.28 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 25.0 p -76.46 81.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 15.4 t -157.03 -42.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.601 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -101.78 -141.9 12.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 174.004 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.524 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.4 m -90.75 72.57 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.384 166.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.524 ' C ' ' O ' ' A' ' 193' ' ' THR . 51.3 t30 -34.17 110.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -172.537 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.8 tp -52.88 -52.1 58.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -171.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 229' ' ' LEU . 1.7 t80 -47.63 -51.49 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.994 -175.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.928 HD23 HD12 ' A' ' 218' ' ' LEU . 0.8 OUTLIER -48.01 -37.09 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 -179.652 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.686 HG22 ' C11' ' A' ' 256' ' ' INH . 24.0 t -78.7 -42.93 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -50.38 -45.45 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 1.028 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.78 -52.98 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -176.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -44.61 -54.27 6.3 Favored 'General case' 0 N--CA 1.513 2.718 0 O-C-N 121.171 -0.956 . . . . 0.0 110.892 171.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.4 mm-40 -51.29 -64.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.382 1.051 . . . . 0.0 110.325 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.5 mp -47.63 -43.23 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -177.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.08 25.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.4 m-70 -62.96 -42.61 99.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 74.9 m -60.21 -36.01 76.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.61 -75.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . 0.46 ' O ' HD11 ' A' ' 245' ' ' LEU . . . 171.87 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 177.243 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 209' ' ' LEU . 8.3 mt -115.97 162.44 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.25 177.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 86' ' ' PHE . 48.3 m-85 -151.6 169.76 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -45.59 124.64 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.618 -166.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.751 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 35.5 m -80.51 174.61 11.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -177.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -88.74 -35.01 16.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 177.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.82 148.21 51.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 74.1 p -97.35 -27.83 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.75 159.96 32.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -89.9 -24.3 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 178.89 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.633 ' N ' HD23 ' A' ' 218' ' ' LEU . 6.6 tpt -60.58 -27.09 67.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 110.919 176.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.2 t80 -52.74 147.55 15.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -172.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 134.78 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 -176.131 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.26 151.13 41.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 -177.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.67 146.9 11.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 22.4 t -114.88 -174.8 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -177.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -149.04 157.18 43.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 26.3 m -52.26 -37.68 56.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.13 127.7 19.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -97.98 -20.15 17.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -171.501 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 230' ' ' THR . 1.2 p -75.09 -19.56 59.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.378 -177.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.99 -4.95 22.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 175.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.2 t80 -38.82 152.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.982 -178.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -156.21 157.58 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.724 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.0 mt -77.69 147.32 35.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 15.8 m -74.56 159.86 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.74 -31.8 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -38.73 65.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 178.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -79.47 -46.82 16.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -174.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -60.92 -38.33 79.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -177.43 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -52.66 -45.0 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.5 -51.5 6.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -176.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.2 tp -58.67 -30.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -174.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -34.01 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 23.0 t -60.42 -26.21 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.08 . . . . 0.0 110.002 176.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 208' ' ' GLY . 15.2 mt -80.83 -34.46 33.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.545 ' CZ ' HD21 ' A' ' 130' ' ' LEU . 5.0 m-85 -143.35 -84.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -177.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 93.27 120.67 3.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.47 26.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.14 31.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 178.28 7.47 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.765 . . . . 0.0 110.922 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.09 144.45 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.499 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.4 OUTLIER 170.95 -55.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -178.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.4 Cg_endo -74.95 72.26 4.68 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.02 134.65 46.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.013 -1.47 . . . . 0.0 110.426 -179.51 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.898 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.725 ' N ' ' HG ' ' A' ' 212' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.426 0.155 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -173.06 173.88 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -116.02 136.04 53.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.425 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -64.56 173.38 1.6 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 111.007 172.444 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.08 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.997 178.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.06 -10.93 4.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -173.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.8 mt 65.72 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.91 11.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt 172.96 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CB ' HD21 ' A' ' 97' ' ' LEU . 92.1 m95 -65.24 151.89 45.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -87.49 -4.04 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -173.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' A' ' 141' ' ' ASP . 8.6 pttm -127.26 152.72 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.631 1.207 . . . . 0.0 109.372 179.008 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 p -89.44 -39.35 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.382 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -74.49 79.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.511 HD21 ' CB ' ' A' ' 92' ' ' TRP . 23.4 mt -78.22 159.01 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.361 -176.206 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 150.89 49.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 173.467 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -144.51 169.38 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 178.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 144' ' ' ILE . 6.8 ttt85 -165.85 143.67 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -177.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -102.47 117.0 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 175.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -75.69 -41.03 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -152.43 171.52 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -177.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.94 -170.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -177.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -114.6 143.96 30.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -178.129 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 64.24 6.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.31 -48.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 108' ' ' LEU . 29.7 mt -104.26 160.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -178.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.1 Cg_endo -75.06 170.76 19.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 172.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.48 -59.92 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -173.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -50.77 -35.04 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -178.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.43 -45.54 90.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -175.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.39 -51.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.326 -177.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.49 -33.03 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -63.59 -45.25 91.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.992 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.62 -39.03 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.25 -53.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -44.86 -34.21 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 10.5 mttp -81.8 -56.34 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -176.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -52.82 -37.98 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -176.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.56 -52.9 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.5 73.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -173.647 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.661 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.0 OUTLIER -53.23 -33.43 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -178.632 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.698 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 90.3 m95 -93.2 -32.43 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -176.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.3 -23.83 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 177.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -18.83 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -175.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.594 HG23 HG21 ' A' ' 242' ' ' ILE . 11.1 m -130.06 18.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -173.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.5 p -144.91 159.86 48.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.42 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.57 21.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 175.143 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 246' ' ' TYR . 53.8 mt -57.74 154.35 11.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -172.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 134.38 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 110.443 173.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -109.11 131.45 55.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -172.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.4 t -119.63 161.17 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 177.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -112.42 150.83 30.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.1 mt -128.27 125.9 39.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -77.73 -11.94 59.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 111.021 -177.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -158.44 171.03 20.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 176.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.16 -146.04 20.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.148 . . . . 0.0 110.968 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.55 148.95 42.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 110.232 -178.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -128.74 155.68 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.21 -39.66 93.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -175.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.49 87.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.1 mmt -90.59 83.63 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' ARG . 2.7 mp -70.23 145.21 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -174.379 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 m -155.39 159.06 39.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.33 139.69 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 174.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -148.47 162.08 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -175.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.4 m -130.56 -175.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 165.169 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 148' ' ' VAL . 35.1 ptt85 36.8 -157.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.186 . . . . 0.0 110.299 177.106 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 149' ' ' ARG . 5.5 tm-20 -62.15 110.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 174.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 155' ' ' TYR . 24.5 p-80 -117.99 7.74 12.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.073 . . . . 0.0 109.53 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.92 -94.64 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 t0 -73.69 179.25 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 177.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 5.6 t80 -83.63 80.52 9.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -176.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.608 ' CE1' ' NE2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -158.92 64.71 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 178.396 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.72 23.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 -170.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 9.1 m-30 -93.45 134.48 35.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 173.009 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -155.41 -65.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -176.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -54.2 148.44 19.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 136.79 20.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 176.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.93 -132.61 13.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.4 OUTLIER 47.9 -148.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 177.376 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 162' ' ' ASN . 8.8 t -32.34 113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 176.332 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 165' ' ' ALA . 9.2 mt -92.32 -33.55 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 175.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 164' ' ' LEU . . . 179.56 141.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.18 170.33 10.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.056 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -155.61 164.49 38.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.018 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -122.78 152.43 40.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.827 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -61.55 177.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 170.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.827 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -74.99 151.02 39.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.417 1.746 . . . . 0.0 111.001 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 171.81 -133.96 2.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -178.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.16 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.96 60.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -170.339 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -26.23 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.37 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 2.1 m-80 -90.39 169.77 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.71 -38.14 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 176.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 67.2 t0 -73.6 149.15 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.321 -177.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -115.6 113.05 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.8 120.68 35.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -178.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.468 ' CD1' ' OE1' ' A' ' 202' ' ' GLU . 30.6 m-85 -88.98 153.67 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.077 172.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 8.7 t0 -84.4 107.03 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -24.22 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -80.19 50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 177.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 151.07 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 22.9 tt0 -73.82 156.95 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 177.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.405 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 91.7 m95 -141.28 155.05 46.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.626 HG21 ' N ' ' A' ' 192' ' ' GLY . 37.3 p -140.19 168.45 19.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -93.39 -23.43 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -135.21 -177.8 4.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -175.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 p -70.92 76.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -178.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 4.1 p -134.59 -48.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.457 177.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.626 ' N ' HG21 ' A' ' 187' ' ' THR . . . -117.58 -130.64 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.947 176.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 54.7 m -86.4 87.35 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 0.723 . . . . 0.0 110.402 171.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 197' ' ' LEU . 14.2 t-20 -46.09 115.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -178.469 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 68.3 tp -67.49 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.22 -175.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 196' ' ' PHE . 0.1 OUTLIER -42.49 -51.41 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 -177.588 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.529 HD11 ' H48' ' A' ' 256' ' ' INH . 1.8 tm? -54.65 -38.14 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -177.102 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.23 -33.77 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.297 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.01 -39.4 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -177.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.64 -47.69 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -54.42 -54.36 41.83 Favored 'General case' 0 N--CA 1.514 2.768 0 O-C-N 121.101 -0.999 . . . . 0.0 110.818 177.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 180' ' ' PHE . 2.4 mt-10 -50.5 -62.34 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 177.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.1 mp -50.05 -38.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -177.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.69 26.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 73.2 m-70 -70.72 -39.27 73.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.6 t -58.61 -39.25 79.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.992 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.65 -70.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -177.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 161.4 49.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 209' ' ' LEU . 10.8 mt -124.14 151.86 43.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 174.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 86' ' ' PHE . 85.3 m-85 -140.51 167.36 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 171.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 210' ' ' PHE . 35.1 m170 -41.91 139.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.634 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.725 ' HG ' ' N ' ' A' ' 83' ' ' PHE . 11.1 m -103.48 167.39 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -178.37 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -78.25 -39.4 40.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.06 147.27 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.374 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.6 p -101.52 -11.37 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.11 -23.65 47.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 176.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.04 168.78 17.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -175.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.1 OUTLIER -93.69 -20.56 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 177.678 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.38 67.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 22.4 t80 -43.06 145.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 175.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.95 -35.67 3.05 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -165.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.21 136.32 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 178.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -46.21 146.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.03 124.15 45.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -177.308 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 85.5 p -132.28 163.49 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.048 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 14.4 tp -155.18 149.62 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -50.37 -32.79 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -133.93 93.4 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 177.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.47 -21.79 66.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -178.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 6.3 t -66.86 -11.08 54.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -112.63 -5.69 13.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -176.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.66 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -47.28 146.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.46 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.4 mmt180 -148.28 148.26 30.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 178.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.698 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 15.6 mt -67.02 133.08 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 174.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 65.5 m -73.23 164.71 26.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 177.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.38 -34.84 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -177.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.45 -47.88 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.295 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.88 -50.45 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -177.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.686 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -64.24 -37.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 -174.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.26 -44.41 61.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.236 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.43 6.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 110.964 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.686 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.0 OUTLIER -60.94 -26.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 -174.577 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.35 -39.43 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 16.9 m -54.8 -29.93 55.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.41 -33.9 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 178.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 130' ' ' LEU . 40.1 m-85 -133.03 -91.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 111.001 -178.249 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.7 118.61 3.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.87 28.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 178.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.11 32.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.28 7.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -153.06 164.94 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 28.7 m -157.2 77.54 3.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 69.59 5.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -149.29 29.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.018 -1.468 . . . . 0.0 110.389 -179.317 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.58 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.5 p90 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.456 0.169 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -179.44 178.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -118.36 135.76 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.392 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -84.2 176.74 3.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 170.854 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.94 98.73 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 -173.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.73 -11.81 5.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -170.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt 65.13 110.26 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.1 Cg_endo -75.04 125.1 9.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.051 -177.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 245' ' ' LEU . 0.7 OUTLIER 171.48 123.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -177.051 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.425 ' N ' ' OH ' ' A' ' 246' ' ' TYR . 97.9 m95 -73.97 156.26 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 177.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -87.25 -3.25 59.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -176.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -130.81 155.94 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -90.9 -35.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -76.92 82.23 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD21 ' CG ' ' A' ' 92' ' ' TRP . 14.0 mt -77.6 166.31 23.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -176.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.76 144.61 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 175.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -138.69 171.29 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 175.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -160.82 131.82 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 110.279 -175.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 mm -94.28 114.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 176.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.57 -41.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -174.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -159.79 172.82 16.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.387 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -120.11 -165.49 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.086 -176.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -118.03 143.2 32.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -177.843 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -74.99 68.91 5.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 178.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.38 -48.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.614 1.196 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -102.11 160.31 26.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.03 165.03 32.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 171.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -58.76 6.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -170.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 -35.17 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -176.167 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.75 -45.89 87.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -176.107 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.27 -53.94 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -178.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -51.94 -34.78 43.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 119' ' ' LYS . 0.8 OUTLIER -59.2 -40.42 85.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -177.682 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.95 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 2.3 t -75.05 -54.87 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 177.426 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -47.13 -29.2 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 174.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 115' ' ' SER . 41.3 mtpt -84.3 -53.7 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -176.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.654 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -53.46 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 84.4 mt -64.0 -49.96 70.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -177.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -59.65 -37.21 78.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.718 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -57.35 -39.92 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -177.686 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.686 ' CE3' HD13 ' A' ' 242' ' ' ILE . 88.5 m95 -84.21 -31.84 24.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.025 -177.535 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.76 -22.7 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 178.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.2 -19.28 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -175.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.532 HG23 HG21 ' A' ' 242' ' ' ILE . 11.9 m -127.86 18.6 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -173.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 242' ' ' ILE . 61.4 p -144.89 160.43 46.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 169.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -9.03 20.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.35 154.9 40.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -169.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.1 p -129.09 167.97 16.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 169.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.62 134.56 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.5 t -124.24 179.99 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -128.76 152.46 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.7 mt -122.33 123.0 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -60.35 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -152.31 166.68 31.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 89.8 -159.39 27.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.03 142.32 35.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.248 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -115.12 163.03 16.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 176.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -33.9 76.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -177.143 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.4 mt -123.46 88.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.38 101.75 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.081 -179.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.45 142.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -175.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -150.61 169.93 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 20.7 m-85 -128.86 139.95 51.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 176.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 143.88 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 183' ' ' ASP . 1.3 m -93.98 178.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 171.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 41.93 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 174.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.86 138.24 50.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 177.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.0 p-80 -146.23 28.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -167.518 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 136.96 -89.18 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.063 179.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.12 -164.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -178.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -99.44 74.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -155.49 70.4 5.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 178.744 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 105.07 2.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 -171.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.739 ' CE1' HG12 ' A' ' 163' ' ' VAL . 3.6 m-85 -48.27 130.75 16.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 173.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.73 65.03 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -171.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 53.4 -142.73 28.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 0.0 110.989 176.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.44 28.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 82.42 -160.41 39.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -175.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 48.08 -152.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 109.251 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' CE1' ' A' ' 157' ' ' PHE . 65.4 t -35.14 115.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 178.135 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.575 HD11 ' C31' ' A' ' 256' ' ' INH . 12.6 mt -90.41 -39.34 12.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 173.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 198' ' ' VAL . . . -166.85 142.22 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 173.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.79 162.56 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.591 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -156.88 145.71 20.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -174.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -99.08 170.65 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -64.85 167.54 9.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 175.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -75.03 146.75 32.91 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 -177.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.65 -175.56 27.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.57 42.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.041 178.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 75.93 -135.93 18.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 173.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -24.53 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 -177.619 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -68.84 139.03 55.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 92.96 -28.19 9.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.57 155.56 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -176.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -139.79 124.26 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 178.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -112.16 139.48 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.572 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 20.9 m-85 -106.6 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 174.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.429 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -91.41 114.09 26.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 173.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.5 -23.86 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 148' ' ' VAL . 2.7 t70 -74.31 -26.8 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -175.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.52 152.73 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -175.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -75.95 156.11 34.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -140.23 154.73 46.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 108.007 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.507 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 71.1 p -142.31 170.63 15.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.469 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.55 10.47 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -174.103 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -166.46 -170.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 37.9 p -77.88 70.45 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 110.383 -175.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 16.1 p -131.46 -49.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.464 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.507 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -102.71 -134.0 8.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 177.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 194' ' ' ASN . 42.6 m -94.91 75.44 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.414 169.075 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 193' ' ' THR . 58.9 t30 -34.98 112.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -173.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 51.8 tp -55.38 -52.91 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -169.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 229' ' ' LEU . 0.5 OUTLIER -48.9 -45.16 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -174.736 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.833 HD22 ' H48' ' A' ' 256' ' ' INH . 0.9 OUTLIER -52.4 -39.28 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.207 -179.051 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 165' ' ' ALA . 54.4 t -79.79 -32.96 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 202' ' ' GLU . . . -66.37 -42.44 88.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -176.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.884 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -67.99 -22.44 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.38 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.34 -57.89 3.6 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 121.185 -0.947 . . . . 0.0 110.78 174.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 199' ' ' ALA . 0.8 OUTLIER -54.17 -51.34 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 199' ' ' ALA . 0.2 OUTLIER -54.46 -38.93 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -177.526 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.64 -39.34 60.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 -178.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.672 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 35.7 m-70 -66.71 -37.72 85.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.584 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -70.79 -34.95 72.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -178.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.81 -53.55 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -176.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.94 56.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.562 1.164 . . . . 0.0 111.053 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.836 ' CD2' HD12 ' A' ' 242' ' ' ILE . 1.3 pt? -164.81 132.42 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.726 . . . . 0.0 109.301 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 211' ' ' HIS . 33.0 m-85 -109.48 -173.86 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 111.016 -177.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 210' ' ' PHE . 46.9 m170 -35.66 131.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.61 -175.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 61.7 p -86.25 177.14 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 -179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.46 -30.39 23.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.1 150.83 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -178.399 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 12.2 t -97.82 -19.52 18.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -178.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -11.25 59.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.82 171.79 14.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -94.96 -24.5 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -176.084 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.568 ' N ' HD23 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -70.66 -15.26 62.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 177.013 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.554 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 62.6 t80 -64.07 137.63 97.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 175.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.03 65.43 6.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 222' ' ' LEU . 0.4 OUTLIER -166.9 132.16 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 177.74 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -74.08 149.24 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -172.0 123.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.548 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 68.0 m -97.49 170.38 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -177.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 33.1 tp -130.94 152.86 49.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.1 p -39.66 -56.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -120.2 100.54 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.782 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -176.003 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.404 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -64.38 -22.43 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.178 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -96.27 -4.93 41.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 3.9 t80 -42.46 155.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -156.15 156.2 33.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.718 HD11 ' CG1' ' A' ' 123' ' ' VAL . 6.1 mt -79.96 148.48 31.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.307 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.3 m -76.19 156.31 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 177.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.18 -31.06 51.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -39.37 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -76.88 -44.07 33.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.213 -174.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -62.88 -35.77 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -178.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -52.24 -49.9 63.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -74.84 -51.46 7.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -175.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.836 HD12 ' CD2' ' A' ' 209' ' ' LEU . 0.6 OUTLIER -56.97 -24.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -175.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.3 -36.89 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 110.298 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 91.1 p -56.07 -32.91 64.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 90' ' ' PRO . 4.6 mt -87.43 -21.13 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -178.091 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.425 ' OH ' ' N ' ' A' ' 92' ' ' TRP . 32.5 m-85 -141.06 -90.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 91.13 122.64 2.7 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 176.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.55 28.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.831 . . . . 0.0 111.04 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 123.79 8.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.37 7.36 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 178.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.54 166.97 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 109.288 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.512 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER -51.67 -55.96 25.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.079 -173.856 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.3 Cg_endo -74.99 64.02 6.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 177.076 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.39 -27.13 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 116.952 -1.499 . . . . 0.0 110.381 178.696 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.833 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.474 0.178 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -70.31 166.73 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -177.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -142.15 137.59 31.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -177.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.45 170.18 0.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 173.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.19 4.36 18.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 111.032 177.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.512 HG23 HD23 ' A' ' 245' ' ' LEU . 3.9 mp 53.84 96.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.769 . . . . 0.0 109.284 -177.46 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.583 ' HB3' ' HB1' ' A' ' 169' ' ' ALA . 18.3 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -178.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 pttm 178.52 121.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -176.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -66.47 149.6 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -94.46 -2.27 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -176.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -121.45 136.63 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -83.0 -35.78 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -74.39 77.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 178.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.22 149.17 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -177.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.96 151.13 47.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 173.262 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.57 170.97 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -166.19 141.74 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -177.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.1 mp -100.34 113.67 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 174.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.53 -40.97 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -173.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -154.2 173.27 16.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -177.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.18 -167.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 -177.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -117.85 144.01 33.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -177.786 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.98 73.4 4.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.264 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.54 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 187' ' ' THR . 22.2 mt -103.21 159.62 28.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.96 167.68 26.52 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 172.514 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -67.89 -55.88 11.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.08 -35.68 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -177.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.558 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.67 -45.96 90.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -176.026 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -52.67 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -177.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.78 -33.69 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.4 t -66.39 -42.63 87.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 -179.207 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -55.1 -39.19 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 10.9 t -71.28 -58.29 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 176.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -43.67 -34.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 176.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 27.2 mttp -83.79 -45.12 13.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -175.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -60.24 -32.97 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 28.7 mt -71.26 -53.57 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -178.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.21 -31.35 70.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -176.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.688 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.3 t -56.29 -37.05 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.671 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 84.9 m95 -87.62 -33.29 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -54.63 -23.79 18.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.33 -19.9 49.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -175.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.584 HG23 HG21 ' A' ' 242' ' ' ILE . 6.3 m -129.95 17.7 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -173.078 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 63.6 p -144.49 159.16 52.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 110.36 171.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.69 21.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 175.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 246' ' ' TYR . 45.3 mt -60.01 152.19 24.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -171.152 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 134.74 47.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 173.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -107.88 131.3 54.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -173.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.9 t -124.83 163.41 22.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 1.076 . . . . 0.0 109.955 176.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -118.39 150.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.99 133.98 53.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -72.35 -15.7 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -159.49 169.52 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 175.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.44 176.34 41.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 178.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -93.6 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.271 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.55 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 177.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.04 -49.93 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.63 89.86 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.91 90.75 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -178.403 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 144.21 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -177.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -156.21 160.41 39.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -178.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -111.03 140.52 45.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.25 168.17 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 -176.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 6.1 m -139.61 -175.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 174.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 148' ' ' VAL . 7.4 mtp-105 33.61 -142.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 177.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.38 99.8 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 176.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.611 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 38.4 p-80 -100.13 54.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 178.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 58.92 63.45 5.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -177.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.62 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 7.6 p-10 -174.71 -174.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -172.292 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.6 t80 -113.74 2.5 15.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -175.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -113.49 92.82 24.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.035 176.119 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.52 30.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -175.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 5.7 m-30 -105.04 129.8 53.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 178.46 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 178.78 112.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.368 -177.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 144.01 145.43 4.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.157 . . . . 0.0 111.073 174.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 129.44 12.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 175.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.96 -135.49 19.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -174.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.12 -153.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 178.304 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 162' ' ' ASN . 4.4 t -36.41 116.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.672 HD11 ' H69' ' A' ' 256' ' ' INH . 4.9 mt -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 176.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -176.36 146.21 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 157' ' ' PHE . 1.1 p-80 -126.95 165.94 18.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.555 178.145 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -159.74 161.59 34.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 174.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.476 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 59.6 m-85 -133.75 140.15 46.8 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 111.069 -171.207 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 90' ' ' PRO . . . -53.37 150.01 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 175.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 137.85 22.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -171.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -168.01 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 172.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -77.21 -11.42 85.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -173.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -26.95 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.152 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 18.3 m-20 -88.36 176.62 7.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.51 -39.16 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.41 150.46 36.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 176.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -116.75 112.03 20.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -89.46 123.19 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.67 145.62 27.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 173.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 19.4 t0 -78.92 109.2 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -174.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -23.08 53.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 177.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.45 ' H ' HG12 ' A' ' 148' ' ' VAL . 4.8 t70 -80.5 49.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.13 153.96 16.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.321 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 23.5 tt0 -73.38 158.09 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 177.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.422 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 93.1 m95 -143.56 156.51 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.69 HG21 ' HA3' ' A' ' 192' ' ' GLY . 69.5 p -139.45 163.72 31.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 178.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -92.88 -11.21 34.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 177.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.51 -169.92 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 23.9 p -78.15 70.98 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -176.426 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 9.3 t -143.45 21.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 175.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.69 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 176.91 -133.47 2.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 164' ' ' LEU . 42.4 m -88.84 87.73 7.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 110.422 170.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.494 HD21 HD13 ' A' ' 229' ' ' LEU . 10.3 t-20 -52.15 110.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.374 -176.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.64 -57.4 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -174.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.564 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -52.49 -41.57 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -174.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.738 HD22 ' H48' ' A' ' 256' ' ' INH . 0.4 OUTLIER -59.71 -37.79 79.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 178.48 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.18 -34.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.31 82.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -178.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -61.95 -38.65 89.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -66.64 -53.76 30.64 Favored 'General case' 0 N--CA 1.516 2.831 0 O-C-N 121.164 -0.96 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -57.47 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -54.28 -35.87 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.38 -176.01 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.67 43.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.062 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 74.1 m-70 -66.84 -38.53 86.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.546 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 38.0 t -65.0 -28.86 69.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.19 -105.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -175.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -143.27 12.04 2.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.078 -174.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.516 ' HG ' HD12 ' A' ' 242' ' ' ILE . 14.1 mt -112.96 172.26 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.57 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.0 m-85 -151.34 -63.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.929 178.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.7 m170 -149.04 137.55 21.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.396 1.06 . . . . 0.0 109.682 -176.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.6 m -94.02 177.48 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -99.75 -39.85 8.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.243 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.07 157.45 36.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.401 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 70.4 p -94.88 -29.72 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -178.02 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -8.22 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 110.262 -176.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.65 -178.91 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -178.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -94.1 -48.65 6.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -174.615 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 94.3 mmm -67.86 -9.04 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -173.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.8 t80 -44.46 129.46 4.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 174.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.4 Cg_endo -74.95 57.17 4.45 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 -176.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 149.29 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 174.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -75.74 145.74 40.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -169.62 122.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.688 177.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 5.1 m -110.23 134.67 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -177.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 25.7 tp -81.64 150.05 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.01 -44.38 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 110.406 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.74 104.26 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 175.459 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.714 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.53 -18.32 63.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -176.228 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -9.83 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -178.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -114.84 -5.69 12.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -176.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.628 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.77 141.93 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -177.734 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 4.1 mtt-85 -152.63 148.93 27.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 178.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 123' ' ' VAL . 19.0 mt -68.9 132.42 46.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 176.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 67.9 m -73.54 158.53 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 177.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -29.51 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 -178.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -50.96 -50.75 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 176.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.91 -48.58 62.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -173.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.669 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -59.51 -43.4 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.644 1.215 . . . . 0.0 109.334 -174.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -49.2 -43.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.42 -57.15 4.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.669 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.8 OUTLIER -53.73 -29.42 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 109.253 -173.525 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -77.87 -39.75 42.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.3 p -60.68 -30.19 69.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.512 HD23 HG23 ' A' ' 89' ' ' ILE . 1.3 mt -89.15 -19.1 25.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.558 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 46.3 m-85 -139.78 -92.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.32 112.85 2.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 172.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.91 32.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.914 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.14 8.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -69.77 144.71 52.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 53.6 p 47.45 68.74 3.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 -179.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 72.47 4.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.521 1.8 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.84 136.63 32.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.033 -1.461 . . . . 0.0 110.382 -179.306 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.767 ' C16' ' H37' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.636 ' CE2' HD22 ' A' ' 209' ' ' LEU . 12.0 t80 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.542 ' C ' HG23 ' A' ' 85' ' ' THR . 8.3 mtp180 -75.25 141.94 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 176.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.542 HG23 ' C ' ' A' ' 84' ' ' ARG . 28.1 p -159.22 135.32 8.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.381 -169.403 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.07 169.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.904 176.739 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.574 1.829 . . . . 0.0 111.015 178.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.77 -7.8 6.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -174.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.3 mt 67.28 106.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 178.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.0 130.72 13.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? 175.55 125.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.429 ' CG ' HD21 ' A' ' 97' ' ' LEU . 90.7 m95 -64.65 151.02 45.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.95 -4.86 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -176.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -126.29 157.71 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.7 p -92.98 -38.2 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -75.32 88.16 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.554 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 92' ' ' TRP . 17.9 mt -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 1.195 . . . . 0.0 109.321 -177.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.9 148.1 51.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 174.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.401 ' CD2' HG11 ' A' ' 117' ' ' VAL . 11.6 p90 -137.57 174.34 10.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 176.029 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -163.59 147.76 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -177.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mm -102.97 117.43 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.36 172.103 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.56 -38.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -160.33 169.37 23.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.69 -177.3 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -175.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -109.36 143.96 28.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -175.291 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.42 6.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.28 -48.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 108' ' ' LEU . 19.2 mt -104.63 157.31 34.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 178.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.0 Cg_endo -75.04 168.81 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 173.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -63.82 -63.35 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -173.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -33.62 40.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.558 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.97 -45.81 90.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -177.234 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.47 -52.81 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -178.28 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.56 -34.83 59.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 109.309 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -46.44 89.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -51.18 -41.57 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 24.1 t -72.16 -55.44 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 178.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -44.73 -33.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 176.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -85.38 -43.2 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -176.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -61.4 -32.35 72.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 40.4 mt -71.54 -52.09 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -178.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.25 -34.6 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -178.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.616 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.1 t -54.83 -34.27 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.706 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 61.7 m95 -86.74 -36.44 18.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.034 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.01 -24.42 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.87 -18.87 53.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 242' ' ' ILE . 8.0 m -131.67 17.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -172.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.7 p -145.31 158.85 50.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.4 20.74 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 176.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.45 154.24 42.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -168.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -126.6 166.33 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 171.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.53 158.46 43.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.912 -174.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.3 m -154.78 150.0 27.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -98.27 152.67 19.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -178.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.0 mt -131.87 121.03 23.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 177.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -77.49 -10.45 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.416 1.073 . . . . 0.0 111.042 -177.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -151.0 172.49 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 176.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.16 -160.49 53.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 176.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.9 153.96 21.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 -178.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.27 161.45 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 177.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.19 -39.86 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 17.7 mt -119.93 86.43 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.61 87.38 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.403 HG23 ' CE1' ' A' ' 180' ' ' PHE . 2.7 mp -73.24 136.35 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -175.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 p -143.9 164.93 29.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -172.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 15.0 m-85 -126.67 151.26 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 177.139 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.07 143.14 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 175.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 149' ' ' ARG . 4.6 m -93.04 173.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 171.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' VAL . 20.7 mmt-85 39.9 -147.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 175.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.11 143.57 31.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.574 ' CE1' ' CD1' ' A' ' 155' ' ' TYR . 42.7 p-80 -158.51 30.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.631 -160.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.74 -91.47 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.571 1.17 . . . . 0.0 111.003 -178.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 0.5 OUTLIER -73.46 -164.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.092 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.72 78.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -178.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.574 ' CD1' ' CE1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -154.02 75.48 6.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.417 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.83 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -170.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 163' ' ' VAL . 6.4 m-85 -71.9 126.95 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 111.0 175.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -123.72 81.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -167.518 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.49 -161.38 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.42 1.075 . . . . 0.0 111.009 170.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 157.65 42.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 111.079 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.19 -164.08 51.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -174.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.17 -157.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 0.719 . . . . 0.0 109.278 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' CE1' ' A' ' 157' ' ' PHE . 49.0 t -42.66 117.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.746 HD12 ' H45' ' A' ' 256' ' ' INH . 8.0 mt -87.76 -42.19 12.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 173.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -165.82 144.81 6.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.41 ' NE2' ' CD2' ' A' ' 155' ' ' TYR . 6.3 p-80 -133.9 161.76 33.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 178.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -157.12 175.54 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -175.536 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.72 165.83 26.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -176.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -52.07 163.72 0.66 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -75.02 160.16 40.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 -177.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 142.16 -177.5 21.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.21 42.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 77.03 -133.71 13.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 174.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -35.77 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 0.0 109.266 -177.249 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.87 150.34 49.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -175.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.2 -36.79 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -75.79 158.46 32.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 -177.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.22 125.34 29.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 176.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -103.58 123.95 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.622 -174.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 8.1 m-85 -107.47 163.4 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.904 175.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.462 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 22.7 t0 -84.55 137.48 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.269 175.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.66 -22.67 14.39 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 177.391 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -78.19 -23.23 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -80.76 152.43 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -177.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -74.73 155.58 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 176.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -143.17 153.05 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 108.04 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.548 HG21 ' N ' ' A' ' 192' ' ' GLY . 29.1 p -138.71 165.76 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.401 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -16.16 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -176.081 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -139.09 -177.08 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -176.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p -71.85 78.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.4 p -137.52 -51.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.548 ' N ' HG21 ' A' ' 187' ' ' THR . . . -110.14 -131.08 6.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 178.173 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 194' ' ' ASN . 23.4 m -88.72 79.08 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.736 . . . . 0.0 110.404 169.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 193' ' ' THR . 26.0 t-20 -39.9 111.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.256 -175.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.47 -50.69 72.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -172.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.519 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 1.3 t80 -50.77 -44.55 58.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.935 -175.071 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 218' ' ' LEU . 1.0 OUTLIER -50.57 -44.44 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.25 176.415 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.84 -35.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -175.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 178.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 1.034 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.58 -49.96 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.385 -176.359 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -53.27 -48.83 67.96 Favored 'General case' 0 N--CA 1.515 2.803 0 O-C-N 121.189 -0.945 . . . . 0.0 110.874 174.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.4 -53.16 57.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.215 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -52.58 -39.27 53.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 63.7 m-70 -73.19 -36.58 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.575 178.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 67.9 m -67.08 -25.06 66.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.044 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.5 -102.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -155.81 23.84 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.585 1.178 . . . . 0.0 110.991 -176.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.636 HD22 ' CE2' ' A' ' 83' ' ' PHE . 89.0 mt -118.34 -179.95 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 174.511 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.648 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 24.4 m-85 -156.51 -60.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 177.221 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 37.9 m170 -149.54 124.54 10.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.615 -178.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 11.2 m -76.93 -94.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.987 -176.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 173.91 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -176.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.403 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 2.3 t-20 -63.82 149.25 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 178.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 4.9 p -91.78 -14.38 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -178.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.08 -7.83 50.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.71 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.034 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -93.99 -21.67 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -178.102 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 2.0 mtp -86.75 15.3 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.608 ' CG ' ' HD2' ' A' ' 221' ' ' PRO . 9.7 t80 -82.65 149.32 60.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 171.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 220' ' ' TYR . 18.1 Cg_endo -75.02 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -171.118 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 134.9 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.48 155.37 15.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -174.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.29 178.79 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 109.556 -178.42 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 32.2 t -165.42 -175.84 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.04 157.53 42.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 11.8 t -57.08 -31.4 65.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -146.45 123.86 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 177.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.732 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -94.75 -19.79 20.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -177.092 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.45 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -60.3 -11.13 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -178.292 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -119.84 -6.32 10.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 1.3 t80 -43.01 152.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -174.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -156.16 157.23 35.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 173.245 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.706 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 4.1 mt -72.96 138.58 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 34.2 m -62.86 156.5 23.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 177.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -54.55 -29.28 50.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -38.92 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.73 -43.92 52.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -174.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.25 -37.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.98 -43.13 60.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.9 5.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -176.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.7 tp -57.48 -29.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 -174.031 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.03 -34.87 37.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.4 p -57.14 -29.77 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -178.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -97.09 -18.91 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -176.263 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -141.66 -96.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -176.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 95.26 117.38 3.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 177.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 168.66 24.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.04 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.6 8.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.428 1.752 . . . . 0.0 110.992 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -74.52 161.74 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 65.2 m -70.1 150.17 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.038 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.37 18.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 178.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.89 -36.13 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.472 179.585 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.964 ' H36' ' N18' ' A' ' 256' ' ' INH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.505 0.193 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -142.04 163.07 33.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 86' ' ' PHE . 81.9 p -110.84 -103.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER 176.89 168.7 0.43 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.5 Cg_endo -74.97 105.88 2.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -178.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.82 -8.9 34.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.937 -177.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.9 mt 48.38 72.0 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.89 17.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 172.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -166.61 134.84 2.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -174.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.33 129.91 40.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 178.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -82.82 -4.24 57.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -174.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -116.04 152.48 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -178.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 p -90.54 -33.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -80.09 87.54 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.7 mt -89.34 161.51 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -176.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 152.07 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 174.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -141.9 172.58 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -164.22 147.45 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -177.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.74 115.78 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 174.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.37 -40.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -175.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -157.25 173.22 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.36 -173.54 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -176.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -110.27 144.19 29.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.369 -176.39 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.06 65.78 6.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.977 178.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -160.3 -48.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.99 158.05 32.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -75.01 166.98 28.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 170.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.09 -62.33 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -174.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.45 -36.59 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.4 -45.5 92.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 -175.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.21 -53.7 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.46 -40.19 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' LYS . 3.0 t -57.46 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 -178.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -54.19 -36.69 63.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -178.14 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.78 -55.17 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 178.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.24 -29.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 173.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 41.9 mtpt -85.39 -54.33 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -176.063 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.582 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.75 -45.3 74.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.376 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.02 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.14 -41.19 96.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -177.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.51 -33.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -177.627 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.664 ' CE3' HD13 ' A' ' 242' ' ' ILE . 91.6 m95 -89.53 -36.4 15.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.338 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -55.97 -23.33 31.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.29 -19.17 56.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.611 HG23 HG21 ' A' ' 242' ' ' ILE . 12.0 m -128.92 18.38 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.286 -174.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 69.1 p -144.72 160.04 48.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 171.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.86 20.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 174.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 246' ' ' TYR . 88.5 mt -56.85 157.1 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -172.199 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 p -139.24 133.81 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 172.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.86 132.17 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.933 -172.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 m -123.1 150.04 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.053 177.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 153.66 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.6 mt -126.71 111.89 14.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -55.99 -25.38 43.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -178.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -159.21 164.53 34.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 175.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.86 -167.0 22.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.1 146.12 24.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 110.352 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.74 43.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.43 -35.17 79.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -176.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.7 mt -120.25 84.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.76 88.54 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.15 143.2 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -174.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -152.76 159.13 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -176.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -111.36 141.28 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 173.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 151' ' ' HIS . . . -149.87 161.49 42.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -175.235 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.518 ' HA ' ' HB2' ' A' ' 157' ' ' PHE . 1.1 m -131.33 -173.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 167.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 148' ' ' VAL . 0.0 OUTLIER 35.5 -154.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 177.803 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 104.31 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 173.599 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 147' ' ' ALA . 21.7 p-80 -101.32 57.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.192 . . . . 0.0 109.626 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 64.53 66.17 2.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -177.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.649 ' OD2' ' CD2' ' A' ' 151' ' ' HIS . 2.8 p30 176.17 -169.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -170.108 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.04 20.58 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -177.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.636 ' CE1' ' HB2' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -125.06 90.42 51.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 166.694 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.2 36.29 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 148' ' ' VAL . 6.9 m-30 -96.73 126.81 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 175.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.33 -75.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -170.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -165.98 -142.78 3.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -175.125 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.4 36.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.44 -155.29 48.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -172.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.34 -154.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.9 t -38.27 111.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.529 HD11 ' H65' ' A' ' 256' ' ' INH . 14.7 mt -81.33 -39.81 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 176.202 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' HB1' ' OE2' ' A' ' 202' ' ' GLU . . . -173.94 141.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 177.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.449 ' CE1' ' HE1' ' A' ' 157' ' ' PHE . 0.7 OUTLIER -124.62 167.13 14.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.502 179.89 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -158.15 170.6 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 176.098 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -139.56 141.52 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -175.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 175' ' ' ASN . . . -57.08 154.48 19.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 173.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 157.14 42.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 110.941 -170.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 174.03 -93.41 0.1 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -76.59 -11.05 85.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -173.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.87 -25.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.3 m-20 -88.4 176.97 6.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 88.13 -39.86 3.1 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 151.8 40.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 178.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.781 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -117.83 119.23 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.257 -179.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -99.56 120.56 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -177.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CD1' ' OE2' ' A' ' 202' ' ' GLU . 32.9 m-85 -97.04 146.62 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 174.476 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 157' ' ' PHE . 10.3 t70 -73.37 104.93 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -178.075 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.54 -26.45 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.46 49.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 178.178 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -167.67 142.35 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -178.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -71.76 154.72 41.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.21 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -135.79 156.19 49.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 107.99 -177.179 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.585 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 15.1 p -141.87 171.94 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 176.165 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -112.29 29.56 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -170.92 -173.27 1.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 34.9 p -86.35 86.44 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.389 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.8 t -155.76 -41.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 177.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.585 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -115.72 -134.82 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 173.052 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 28.3 m -84.55 83.31 8.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 110.367 171.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 198' ' ' VAL . 36.3 t-20 -42.7 103.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.02 -57.81 8.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 -172.169 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.523 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -53.82 -36.34 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 111.01 -173.182 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -63.77 -36.82 85.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 177.715 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.718 HG22 ' C11' ' A' ' 256' ' ' INH . 67.4 t -76.15 -38.13 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.359 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.15 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.866 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -59.1 -51.17 71.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -50.34 -56.31 11.86 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 121.158 -0.964 . . . . 0.0 110.828 174.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.781 ' OE1' ' HB1' ' A' ' 178' ' ' ALA . 1.2 mm-40 -50.04 -63.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.69 -44.85 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -47.07 -46.57 20.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.074 -177.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 83.8 m-70 -67.16 -43.99 80.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.583 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 20.5 m -59.56 -34.01 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -177.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 61.6 mt -73.52 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.6 35.8 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.509 ' HB3' ' SD ' ' A' ' 219' ' ' MET . 6.6 mt -116.45 172.27 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 176.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 29.6 m-85 -159.0 175.62 13.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.92 117.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.63 -172.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.9 m -78.82 168.73 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.91 19.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.42 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 0.5 OUTLIER -66.14 145.97 55.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.337 -179.064 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.3 t -98.54 -8.7 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -178.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -87.26 -14.78 40.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.95 172.66 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -177.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.866 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.0 OUTLIER -99.95 -28.15 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.746 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.5 mtp -70.17 -16.44 63.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 110.982 -178.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.564 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 22.3 t80 -45.57 145.22 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.91 172.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.564 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.01 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 -167.131 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.56 144.47 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 177.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.51 161.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -144.19 156.7 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.069 . . . . 0.0 109.607 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.14 165.83 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 178.044 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 20.6 tp -147.44 153.22 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 22.8 m -45.67 -38.11 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 178.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -134.59 113.29 11.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 177.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.772 HD13 ' C ' ' A' ' 229' ' ' LEU . 0.0 OUTLIER -67.33 -22.8 65.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 -175.434 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.401 ' N ' HD13 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -67.83 -15.85 63.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -178.704 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -105.12 -5.23 20.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -174.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.616 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -54.01 145.16 17.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 7.4 tpp180 -153.77 158.02 40.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 175.079 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 10.2 mt -72.0 156.85 38.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 178.003 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 44.5 t -90.61 167.32 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 175.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -59.91 -30.95 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -176.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.45 -39.85 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -75.49 -47.59 26.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -174.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.665 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.4 mp -63.31 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -176.136 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.51 -44.44 69.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.86 -49.25 7.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -176.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.6 OUTLIER -60.58 -27.24 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -175.441 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.21 -40.65 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 40.8 t -55.73 -30.39 61.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.012 178.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.63 -28.61 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 109.361 178.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.528 ' CE1' HD21 ' A' ' 130' ' ' LEU . 42.0 m-85 -139.54 -89.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -177.298 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.06 115.86 3.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 176.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.98 28.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 164.9 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.24 144.28 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 253' ' ' PRO . 0.0 OUTLIER -66.53 -53.1 31.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.087 -178.724 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 252' ' ' SER . 18.7 Cg_endo -74.88 175.55 11.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.37 179.847 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.814 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.559 0.219 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -143.67 166.53 24.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -134.43 135.34 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -80.32 175.72 4.52 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.94 173.677 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.91 102.39 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -173.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.05 -10.8 6.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -170.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp 62.95 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.687 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.2 Cg_endo -75.04 126.71 10.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -178.04 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 50.0 pttt 172.17 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -177.233 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.451 ' CB ' HD21 ' A' ' 97' ' ' LEU . 86.7 m95 -71.1 161.2 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -92.83 -3.63 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -175.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 97' ' ' LEU . 23.1 pttt -131.96 155.63 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -90.46 -38.93 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.394 -179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.28 85.89 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 94' ' ' LYS . 36.1 mt -86.14 162.0 18.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -176.441 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.36 154.14 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.445 175.434 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -143.94 173.32 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 175.069 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -161.86 145.89 12.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -176.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -103.27 113.53 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 174.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.07 -41.85 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -174.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -160.16 176.07 12.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.23 -172.97 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -175.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.27 142.85 26.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 -176.793 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -74.99 64.42 6.04 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 178.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -158.16 -48.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 108' ' ' LEU . 22.6 mt -98.22 160.65 27.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.243 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -74.96 162.91 36.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.005 171.062 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -51.08 57.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -172.53 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.56 -38.2 66.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.211 -179.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -63.31 -46.32 87.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.229 -175.651 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.7 t -64.86 -49.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -176.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.89 -35.46 71.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 179.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.37 -44.59 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.36 -45.11 54.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 20.1 t -69.35 -54.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.436 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -45.01 -35.67 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 176.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 8.5 mttp -75.07 -53.19 9.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.4 -34.61 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.08 . . . . 0.0 109.277 -178.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 18.2 mt -69.74 -50.75 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -177.413 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -59.65 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 234' ' ' LEU . 1.4 t -52.47 -35.37 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -178.212 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.72 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 76.0 m95 -90.25 -35.65 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 107.951 -177.477 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -55.43 -22.59 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.59 -18.72 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.234 -174.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.502 HG23 HG21 ' A' ' 242' ' ' ILE . 17.2 m -127.31 19.24 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.326 -174.158 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.2 p -145.2 158.91 50.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 171.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.39 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.571 1.827 . . . . 0.0 110.964 174.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' A' ' 246' ' ' TYR . 29.9 mt -65.49 155.57 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -171.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 p -134.34 134.61 41.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 173.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.47 124.9 50.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -173.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -112.54 143.87 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 154.26 19.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -177.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 89.5 mt -136.09 154.57 50.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 178.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -115.85 -1.87 12.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 177.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.88 170.15 22.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.3 -169.6 54.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 177.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.0 109.7 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 -178.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.58 164.11 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 178.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.93 -46.4 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.77 90.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.97 97.75 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.38 136.66 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -176.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -149.02 160.81 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -175.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 10.7 m-85 -119.71 148.93 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 174.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.92 141.95 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.95 159.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 170.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 51.32 -164.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 135.29 53.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 155' ' ' TYR . 28.4 p-80 -135.97 22.45 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.592 -165.39 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.2 -87.53 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.46 ' HB3' ' CE2' ' A' ' 155' ' ' TYR . 3.1 t0 -72.44 -168.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 -177.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -94.75 75.05 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -176.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -156.85 80.69 3.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.573 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.11 39.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.944 -170.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 158' ' ' ASP . 0.8 OUTLIER -134.81 -165.55 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.996 -173.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 0.0 OUTLIER 88.17 -22.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 170.212 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -52.34 158.75 3.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 101.76 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.06 -126.57 7.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -175.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.44 -154.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 178.226 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.46 HG12 ' CE1' ' A' ' 157' ' ' PHE . 16.8 t -36.36 115.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.741 HD21 ' H69' ' A' ' 256' ' ' INH . 1.2 mt -88.6 -39.86 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 174.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.23 146.76 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -136.75 170.52 15.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.61 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.75 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -150.59 178.01 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.247 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -131.93 145.3 51.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.051 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -54.27 179.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 171.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.2 Cg_endo -74.96 148.52 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.193 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 166.74 -133.8 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.427 1.08 . . . . 0.0 110.975 -177.439 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.92 -18.39 64.34 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -169.193 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -29.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.354 177.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 3.0 m120 -88.16 147.1 25.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -177.504 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 95.08 -23.68 32.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 -178.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.27 158.75 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.244 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -125.69 116.54 21.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 175.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -100.72 123.92 45.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.641 -176.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 28.3 m-85 -112.0 167.33 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 157' ' ' PHE . 18.7 t0 -88.45 137.22 32.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 175.003 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 178.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.2 -26.56 56.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -177.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.8 152.64 29.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -177.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.78 155.98 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.343 177.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -144.92 152.53 40.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 108.018 179.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.549 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 1.2 p -140.01 -174.9 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 177.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -118.29 16.43 13.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.368 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -155.44 -165.34 1.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.5 p -94.69 49.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.7 t -109.61 -28.69 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 173.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.549 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -133.19 -141.9 4.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 175.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.8 m -86.77 87.51 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.381 173.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -48.64 109.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.95 -54.88 42.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -176.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -48.0 -47.59 33.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -176.185 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.601 HD22 ' H48' ' A' ' 256' ' ' INH . 0.1 OUTLIER -54.23 -41.97 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.227 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 75.3 t -76.04 -32.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -55.71 -44.1 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 178.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.634 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.85 -42.41 97.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -178.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -62.74 -51.49 66.95 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 121.14 -0.975 . . . . 0.0 110.814 178.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -55.31 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -31.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -177.267 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.85 -46.33 83.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.956 177.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 79.0 m-70 -67.37 -36.45 81.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.626 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 t -62.75 -38.94 92.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.919 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.0 -101.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 -173.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -151.09 27.17 1.0 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.488 HD12 ' CH2' ' A' ' 124' ' ' TRP . 92.1 mt -117.92 172.47 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 109.329 173.043 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.552 ' HA ' ' CE1' ' A' ' 205' ' ' HIS . 11.9 m-85 -153.15 -71.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.947 177.704 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 39.1 m170 -145.25 139.29 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.618 -174.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -113.81 173.42 6.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.066 -176.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.39 9.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 220' ' ' TYR . 35.5 t30 -56.74 147.39 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 5.3 p -96.67 -17.62 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -177.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.05 -5.49 56.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 179.181 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.18 -177.24 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.3 OUTLIER -102.38 -43.85 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -176.32 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 81.8 mmm -69.5 -9.44 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -175.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.61 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 14.5 t80 -44.56 141.66 2.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 173.198 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.3 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -167.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.71 133.77 43.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -46.98 147.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 -177.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -141.94 152.81 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.561 -175.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 46.3 p -159.77 133.95 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 19.1 tp -95.78 154.04 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 2.0 p -47.6 -37.38 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 178.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -131.0 106.64 8.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.787 ' O ' HD22 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.256 -178.613 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 230' ' ' THR . 1.6 p -74.67 -10.89 59.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 -178.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -111.34 -5.28 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -49.36 147.45 3.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.871 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.481 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 3.0 mtm180 -155.19 154.25 31.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 176.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.72 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 20.3 mt -71.5 142.89 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 176.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 37.1 t -90.9 168.95 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 176.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -30.77 67.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 110.277 -178.029 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.54 -40.64 92.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.32 -49.38 56.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.371 -177.275 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.771 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -65.18 -35.33 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -176.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 239' ' ' ILE . 2.5 t-20 -37.13 -44.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -84.25 -47.35 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -176.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -61.55 -17.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -174.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -95.36 -41.81 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 179.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 34.9 t -62.19 -35.94 80.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -178.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 90' ' ' PRO . 1.7 mt -86.08 -15.3 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -177.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.434 ' CE1' HD21 ' A' ' 130' ' ' LEU . 13.8 m-85 -151.8 -93.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.434 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 85.08 125.82 1.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.68 26.5 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.445 1.761 . . . . 0.0 111.018 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.03 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 178.07 7.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 179.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 141.78 58.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.498 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.5 OUTLIER 167.79 -55.88 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.39 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.97 65.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -96.05 -13.25 23.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.346 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 47.1 m . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.369 179.753 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.741 ' H69' HD21 ' A' ' 164' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -144.43 169.43 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -125.63 -139.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -175.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.819 ' CD2' ' HB2' ' A' ' 169' ' ' ALA . 2.4 m-85 -170.04 171.01 3.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -175.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.08 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.96 -11.65 7.76 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -171.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.51 HG22 ' HG2' ' A' ' 91' ' ' LYS . 7.6 mt 64.07 114.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 18.3 Cg_endo -75.02 122.55 7.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.595 1.84 . . . . 0.0 111.001 -179.168 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 89' ' ' ILE . 14.1 ptpt 163.89 124.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -173.247 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -71.37 126.96 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 174.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.87 -13.6 56.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -176.597 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -102.9 158.85 15.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 176.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.1 p -94.75 -30.37 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 178.163 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -82.33 98.91 9.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 130' ' ' LEU . 20.1 mt -97.27 151.04 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -177.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.55 146.54 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 172.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -138.85 171.58 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 111.032 177.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -164.88 148.89 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.25 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 mm -102.54 113.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 172.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.19 -41.87 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -174.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -155.16 168.41 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.52 178.2 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -177.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.11 144.54 28.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -176.67 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.3 Cg_endo -75.03 66.06 6.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -160.61 -48.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.94 158.38 31.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.01 163.59 35.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.962 170.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -56.18 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -172.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.18 -36.14 65.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -176.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -62.98 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -176.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.438 HG13 HD21 ' A' ' 195' ' ' LEU . 52.0 t -66.01 -53.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -178.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.47 55.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.273 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 119' ' ' LYS . 2.0 t -59.12 -47.11 86.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -53.41 -38.44 63.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -176.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.0 t -78.76 -50.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -47.88 -29.19 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 174.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' SER . 12.1 mttm -90.41 -50.78 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.253 -176.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -55.06 -45.82 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -178.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.7 mt -55.42 -52.31 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -58.11 -40.14 80.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -176.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.22 -32.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -178.141 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.8 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 89.6 m95 -91.62 -32.89 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.045 -177.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.77 -23.81 19.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 177.453 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.01 -19.09 52.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -174.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.554 HG23 HG21 ' A' ' 242' ' ' ILE . 10.9 m -128.36 17.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -172.255 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.2 p -144.99 160.3 46.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 170.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.68 20.28 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 174.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 246' ' ' TYR . 77.4 mt -65.69 157.09 31.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -170.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.6 p -131.01 157.82 41.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -128.65 134.74 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -175.292 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.1 m -125.9 151.82 46.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.006 179.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.3 149.89 21.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.289 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.3 mt -130.66 100.24 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 178.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -54.36 -26.17 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.76 160.43 42.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.339 175.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.44 -175.61 30.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.41 147.96 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 0.712 . . . . 0.0 110.276 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.98 155.54 46.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -62.48 -41.84 99.08 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.4 mt -115.47 83.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 179.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.55 87.51 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.087 -178.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.82 134.38 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 -175.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 166.32 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -174.355 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -125.36 155.99 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 177.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -161.6 142.63 11.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.373 177.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 149' ' ' ARG . 2.5 m -105.97 -177.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 174.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 150' ' ' GLU . 9.1 ptm180 40.47 -160.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 176.716 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.442 ' O ' ' NH1' ' A' ' 149' ' ' ARG . 3.9 tm-20 -64.41 112.05 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 176.509 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 50.2 p-80 -109.77 50.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.576 176.494 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 59.35 -169.51 6.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -177.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.55 ' OD2' ' CD1' ' A' ' 174' ' ' ILE . 1.3 m-20 60.05 178.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 109.356 176.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 11.1 t80 -86.94 -6.5 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 -173.002 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -117.73 94.5 46.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 179.261 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -176.83 3.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.468 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -130.26 137.16 49.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 173.919 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 162.77 116.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -177.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 153.46 154.36 6.73 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.567 1.167 . . . . 0.0 110.957 174.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 175.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.59 -112.97 4.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -175.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.2 OUTLIER 45.47 -153.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.313 178.844 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.468 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -38.29 122.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 176.539 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.726 HD11 ' H65' ' A' ' 256' ' ' INH . 0.1 OUTLIER -101.47 -36.49 8.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 175.84 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.54 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 179' ' ' HIS . 2.0 p-80 -132.55 158.09 43.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 178.875 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 205' ' ' HIS . . . -147.27 161.82 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -178.206 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.487 ' OH ' ' CD1' ' A' ' 155' ' ' TYR . 46.6 m-85 -136.88 163.87 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -173.068 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.819 ' HB2' ' CD2' ' A' ' 86' ' ' PHE . . . -57.38 176.03 0.24 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.775 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.4 Cg_endo -74.93 153.92 42.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 175.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 164.17 -131.4 2.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.102 . . . . 0.0 111.035 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.584 1.833 . . . . 0.0 110.999 179.249 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -63.44 -17.29 59.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -170.374 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 0.55 ' CD1' ' OD2' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -81.13 -33.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 177.668 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 1.1 m-80 -86.87 155.67 20.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -176.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.52 -37.32 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.05 -179.131 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 178' ' ' ALA . 29.0 t0 -75.58 148.67 38.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 177' ' ' ASP . . . -119.75 119.71 34.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 166' ' ' HIS . 22.6 m170 -88.82 127.85 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -176.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 202' ' ' GLU . 16.4 m-85 -112.0 161.77 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 173.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -87.72 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 174.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.88 -26.88 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.93 -26.77 59.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.295 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.05 156.52 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.2 tt0 -73.62 155.57 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 176.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.404 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 80.7 m95 -146.26 154.36 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.588 HG21 ' HA3' ' A' ' 192' ' ' GLY . 7.1 p -136.36 174.35 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 175.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -112.14 17.95 19.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 174.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -163.52 -167.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -178.31 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.7 p -89.08 68.0 8.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.409 -176.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.5 t -144.63 21.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 176.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.588 ' HA3' HG21 ' A' ' 187' ' ' THR . . . 178.55 -142.86 5.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 194' ' ' ASN . 92.9 m -84.72 71.68 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 110.406 171.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 193' ' ' THR . 24.5 t-20 -39.39 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -176.334 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 113' ' ' VAL . 51.9 tp -56.13 -49.42 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 -171.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.538 ' CD2' HD11 ' A' ' 229' ' ' LEU . 1.2 t80 -52.64 -40.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -175.012 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.849 HD22 ' H48' ' A' ' 256' ' ' INH . 1.0 OUTLIER -57.56 -39.97 77.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 178.36 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.6 -30.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.4 ' O ' HD13 ' A' ' 203' ' ' ILE . . . -62.65 -48.61 78.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -66.51 -43.06 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -177.763 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.31 -49.73 76.7 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.124 -0.985 . . . . 0.0 110.833 175.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 180' ' ' PHE . 6.9 mm-40 -54.3 -61.39 2.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 177.202 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 199' ' ' ALA . 1.5 mp -46.91 -40.82 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -50.01 -53.62 22.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 69.2 m-70 -61.53 -38.06 86.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 109.653 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 32.9 t -63.13 -39.46 94.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 -178.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.11 -70.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -178.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 165.32 45.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.505 HD12 ' CH2' ' A' ' 124' ' ' TRP . 8.5 mt -115.72 163.67 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 175.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 209' ' ' LEU . 20.5 m-85 -156.32 166.81 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 174.085 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 210' ' ' PHE . 50.6 m170 -38.88 122.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.566 -173.061 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 213' ' ' ALA . 30.3 t -80.96 -89.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -175.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 212' ' ' SER . . . 171.7 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -176.774 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.07 147.98 50.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 24.6 p -82.27 -27.05 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -178.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -12.62 60.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -177.583 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.716 ' HB2' ' OG ' ' A' ' 235' ' ' SER . . . -82.12 143.54 31.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 197' ' ' LEU . 0.0 OUTLIER -77.87 -11.73 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 174.9 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . 0.485 ' N ' HD23 ' A' ' 218' ' ' LEU . 4.2 tpt -80.47 -13.68 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.181 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.552 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 50.5 t80 -55.19 142.88 56.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 178.419 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -75.05 51.93 2.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -178.277 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.11 138.56 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 175.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -71.57 151.8 43.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 177.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -169.72 122.92 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 15.2 p -96.62 133.96 40.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 227' ' ' THR . 44.9 tp -90.49 137.82 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 178.265 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 226' ' ' LEU . 67.2 p -33.57 -61.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 100.52 7.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 176.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.713 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -69.58 -18.73 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -177.3 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . 0.43 ' N ' HD23 ' A' ' 229' ' ' LEU . 0.6 OUTLIER -60.2 -11.4 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -177.874 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -116.45 -5.89 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 -178.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 218' ' ' LEU . 2.3 t80 -45.12 150.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -175.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 153.31 31.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.177 . . . . 0.0 110.319 179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.8 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 7.7 mt -77.06 135.72 38.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 176.318 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . 0.716 ' OG ' ' HB2' ' A' ' 217' ' ' ALA . 27.1 p -67.18 157.35 33.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 177.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -30.12 40.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -178.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -42.31 83.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -70.44 -44.65 67.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.394 -176.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.3 mp -63.43 -37.2 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -177.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.34 -44.85 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.523 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.84 7.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -175.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -62.5 -21.58 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -175.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -85.92 -45.65 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 24.1 p -51.09 -33.34 25.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.046 -177.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.13 -32.95 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.741 ' CE2' HD11 ' A' ' 130' ' ' LEU . 28.1 m-85 -129.81 -93.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -178.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.7 117.02 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.167 . . . . 0.0 110.988 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 177.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.1 32.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.9 7.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.042 179.137 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.14 162.3 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 16.4 m -156.6 75.67 4.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 75.89 3.61 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.546 1.814 . . . . 0.0 110.966 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.92 134.64 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.428 -179.715 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.849 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.555 0.217 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -146.45 179.04 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.7 p -127.57 -157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 178.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.584 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -144.66 174.14 3.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -176.007 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.2 Cg_endo -75.04 82.1 2.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 177.264 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.96 -11.79 4.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.143 . . . . 0.0 111.031 -173.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt 66.94 113.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.596 ' O ' HD22 ' A' ' 245' ' ' LEU . 18.5 Cg_endo -74.93 128.95 11.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.551 1.817 . . . . 0.0 111.065 178.442 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 pttt 175.59 120.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -178.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -69.65 148.31 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 107.996 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -89.07 -1.38 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -174.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 149.35 47.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 178.334 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -85.9 -29.41 23.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -73.46 80.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 130' ' ' LEU . 67.6 mt -79.64 154.92 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -178.005 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.45 152.03 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 175.173 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -142.71 174.57 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -165.4 152.47 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -178.241 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mm -106.42 115.47 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 172.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.72 -38.91 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -174.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -159.21 168.04 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.565 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -122.42 179.24 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -176.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -105.81 142.52 24.97 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -177.855 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.4 Cg_endo -75.01 66.84 6.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -161.56 -48.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.6 mt -102.29 157.0 34.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.03 165.52 31.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 170.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -62.94 -61.24 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -175.152 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.94 -37.79 33.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -176.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -61.98 -45.55 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -175.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.05 -53.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -178.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.86 -33.81 57.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.666 1.229 . . . . 0.0 109.305 -178.229 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -62.72 -47.99 81.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -50.83 -43.26 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 18.0 t -71.31 -54.32 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -44.48 -35.04 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 7.8 mttm -80.8 -49.63 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -176.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -56.38 -35.4 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 117' ' ' VAL . 21.7 mt -66.95 -51.23 57.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -60.93 -38.38 85.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.706 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -52.05 -35.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.24 -179.232 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.759 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 64.5 m95 -88.48 -36.76 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.039 -177.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.79 -23.18 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.244 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.6 -18.89 50.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -174.504 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.557 HG23 HG21 ' A' ' 242' ' ' ILE . 13.9 m -128.87 19.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -174.365 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 71.9 p -144.09 158.92 54.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 170.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.14 21.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 175.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 97' ' ' LEU . 37.1 mt -63.56 156.81 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -171.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 p -134.16 134.82 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 174.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.86 130.6 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -174.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -119.0 149.85 40.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -91.71 151.97 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -178.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 74.5 mt -132.4 107.63 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 177.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -64.92 -18.4 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -178.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -160.39 166.02 30.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 174.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.28 -173.08 33.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 177.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.82 148.54 24.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.378 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.89 155.43 46.76 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.12 -35.9 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -176.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.55 81.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 178.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.74 88.73 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -178.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.3 133.61 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.8 p -140.58 156.25 46.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.955 -173.604 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -116.06 148.3 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.985 174.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.59 143.54 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 149' ' ' ARG . 2.9 m -106.2 164.57 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 175.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 148' ' ' VAL . 33.7 ptt85 43.88 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 175.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.32 110.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 177.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 57.0 p-80 -111.65 35.26 3.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 171.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 78.72 -176.13 54.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -176.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' CB ' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER 61.9 -168.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 178.022 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 12.9 t80 -98.66 -1.98 39.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 -171.161 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.459 ' O ' ' CE1' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -118.34 96.76 50.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.499 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 175.53 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.503 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.3 OUTLIER -143.02 -168.31 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 178.416 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 157' ' ' PHE . 7.2 t0 80.84 115.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 178.379 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 172.25 176.22 40.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 177.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 81.42 2.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 178.189 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.5 -105.85 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -176.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 163' ' ' VAL . 0.3 OUTLIER 50.27 -155.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 109.28 177.7 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 157' ' ' PHE . 23.2 t -36.17 121.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 178.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.435 HD21 ' H65' ' A' ' 256' ' ' INH . 10.3 mt -96.01 -40.2 9.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 176.146 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -172.08 142.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -135.33 161.09 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.858 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -145.48 170.58 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.39 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 155' ' ' TYR . 73.8 m-85 -143.57 146.66 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -175.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -46.27 167.64 0.13 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 175.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.5 Cg_endo -75.01 155.54 42.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 165.1 -126.84 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -176.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 177.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -64.64 -17.98 63.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -168.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.57 -30.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 0.733 . . . . 0.0 109.369 177.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 6.2 m-20 -88.97 154.77 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -175.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.24 -32.42 4.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 178.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -74.99 162.86 28.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.539 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -131.17 118.45 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 178.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -96.3 122.21 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -174.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 175.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.99 134.33 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 174.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.46 -23.69 13.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.162 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 53.94 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -176.298 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -167.2 168.38 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 172.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.97 155.82 34.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -176.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -144.16 157.55 44.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 177.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.618 HG21 ' HA3' ' A' ' 192' ' ' GLY . 18.7 p -140.38 172.63 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.46 176.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -115.89 20.86 14.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -163.79 176.12 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 -178.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.0 p -77.22 87.86 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.392 -177.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.2 t -156.94 -43.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 177.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.618 ' HA3' HG21 ' A' ' 187' ' ' THR . . . -116.01 -137.54 6.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 173.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 70.6 m -80.93 87.94 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 110.445 171.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.573 HD21 HD13 ' A' ' 229' ' ' LEU . 15.1 t-20 -51.88 105.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -177.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.18 -51.54 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 -173.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -55.46 -42.66 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -174.65 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.858 HD22 ' H48' ' A' ' 256' ' ' INH . 0.5 OUTLIER -59.14 -37.35 77.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 178.437 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.99 -32.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.07 87.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.803 ' HB3' HD11 ' A' ' 218' ' ' LEU . . . -63.38 -49.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -52.84 -50.27 64.08 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 121.119 -0.988 . . . . 0.0 110.84 177.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.858 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -50.93 -68.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.428 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.412 HG22 ' CD1' ' A' ' 124' ' ' TRP . 1.2 mp -51.62 -33.17 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -48.72 -48.44 29.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 177.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.758 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 86.9 m-70 -72.05 -37.2 69.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.55 179.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.7 t -57.36 -42.83 82.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.43 -86.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 -176.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -173.62 37.97 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.565 HD12 ' CH2' ' A' ' 124' ' ' TRP . 7.0 mt -109.11 164.05 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 175.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 211' ' ' HIS . 52.3 m-85 -158.14 164.12 36.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 176.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 210' ' ' PHE . 53.9 m170 -37.72 126.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.585 -171.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 28.8 m -91.44 165.89 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -75.71 -33.93 60.34 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 178.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.28 149.27 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.235 178.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' ' 220' ' ' TYR . 68.1 p -105.43 -12.34 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.69 -4.91 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -77.5 163.81 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -177.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 200' ' ' ALA . 0.4 OUTLIER -80.0 -16.54 54.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 177.125 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.41 -12.31 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 -177.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.533 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 32.3 t80 -60.72 132.75 91.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.397 1.061 . . . . 0.0 110.999 178.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.2 Cg_endo -74.97 63.04 5.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 111.005 -179.218 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.0 132.47 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.99 144.93 53.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.14 123.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.663 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 12.2 p -105.68 134.24 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 16.1 tp -82.76 152.52 25.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 178.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 13.6 t -51.77 -27.8 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 178.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.23 106.53 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.213 176.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -70.68 -18.44 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.143 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 1.2 t -62.83 -6.93 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -177.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -113.63 -6.78 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -178.128 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.664 ' CZ ' HD13 ' A' ' 218' ' ' LEU . 0.1 OUTLIER -49.88 143.8 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -176.435 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . 0.473 ' N ' ' CD1' ' A' ' 232' ' ' PHE . 0.1 OUTLIER -152.84 153.34 32.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 177.308 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.759 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 6.9 mt -76.0 134.25 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 176.328 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 51.6 p -67.49 169.88 8.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -63.03 -25.63 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -178.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.12 -41.03 97.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.24 -48.54 56.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -175.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.729 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.6 mp -63.43 -41.81 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -176.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -45.81 45.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . -77.89 -47.97 8.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -175.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 239' ' ' ILE . 0.4 OUTLIER -64.34 -20.43 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -175.155 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -91.28 -36.74 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 20.3 m -56.49 -33.04 65.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -177.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 90' ' ' PRO . 5.1 mt -94.3 -14.21 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -176.092 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.521 ' CE2' HD11 ' A' ' 130' ' ' LEU . 44.8 m-85 -138.81 -93.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 177.786 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 94.15 113.72 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 172.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.96 28.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 178.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.57 8.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.12 154.81 41.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 253' ' ' PRO . 0.1 OUTLIER 169.08 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.115 . . . . 0.0 110.04 -178.173 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 252' ' ' SER . 18.2 Cg_endo -74.99 94.79 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.67 -52.23 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 47.8 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.398 -179.584 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.858 ' H48' HD22 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.962 ' CE1' HD22 ' A' ' 209' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.476 0.179 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -91.83 159.44 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.2 p -147.36 -75.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -175.233 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CG ' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 174.16 167.91 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 173.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -74.99 111.94 3.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.25 -11.69 63.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 89' ' ' ILE . 32.1 mt 49.5 71.02 1.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.05 13.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 170.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -159.39 149.96 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -176.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.49 135.44 56.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.019 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.88 -6.61 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -178.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -110.56 151.38 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 p -90.94 -32.46 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.421 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -74.78 76.17 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.54 HD11 HD13 ' A' ' 130' ' ' LEU . 76.7 mt -75.28 156.24 35.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -177.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.12 156.45 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 175.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -149.78 170.84 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 178.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -165.73 137.43 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -176.156 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 101' ' ' ILE . 3.0 mp -100.56 118.21 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 175.06 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.7 -40.81 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.214 -175.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -152.43 172.19 16.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -178.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -128.23 -172.36 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.925 -175.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -108.76 143.29 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -176.607 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 18.2 Cg_endo -75.02 62.87 5.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 178.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.71 -48.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 108' ' ' LEU . 20.7 mt -103.93 158.86 31.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.05 167.37 27.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 172.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -62.6 -62.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 -172.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.07 -35.16 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -175.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 109' ' ' PRO . . . -64.01 -39.1 93.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -176.369 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.44 -51.2 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 -179.263 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.77 -33.09 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -60.75 -46.43 90.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 196' ' ' PHE . . . -52.36 -39.52 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -178.42 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.25 -51.74 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -45.24 -33.03 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 196' ' ' PHE . 9.0 mttm -85.97 -53.62 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -175.717 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 200' ' ' ALA . . . -54.13 -41.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -177.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.92 -53.5 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -33.27 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -173.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.579 ' CG1' HD11 ' A' ' 234' ' ' LEU . 0.9 OUTLIER -55.16 -32.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.415 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.609 ' CZ3' HD13 ' A' ' 234' ' ' LEU . 85.2 m95 -86.76 -35.4 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.84 -26.56 36.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.54 -18.37 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 110.254 -176.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.641 HG23 HG21 ' A' ' 242' ' ' ILE . 8.4 m -131.04 17.2 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -173.171 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 77.7 p -144.9 159.71 49.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.59 21.47 Favored 'Trans proline' 0 C--N 1.362 1.261 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 246' ' ' TYR . 48.8 mt -61.56 153.75 26.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -172.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.2 p -134.5 134.57 41.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 173.405 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.83 141.9 37.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 111.018 -172.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -131.39 161.15 33.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -109.1 152.38 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.8 mt -131.67 136.75 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.337 178.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -88.89 -9.01 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -155.12 170.82 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 177.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.26 -169.4 49.61 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 177.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.69 106.81 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 110.304 -178.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -77.52 163.18 26.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -43.38 97.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -178.405 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.6 mt -113.74 88.64 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -91.17 92.15 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.92 146.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -178.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 m -154.07 169.19 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -176.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 180' ' ' PHE . 19.0 m-85 -127.31 149.55 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 176.237 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -160.03 146.31 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 183' ' ' ASP . 4.3 m -105.66 153.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 176.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 45.6 -163.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 178.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.45 122.8 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 155' ' ' TYR . 42.3 p-80 -131.87 37.53 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -171.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 104.67 -58.48 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.577 1.173 . . . . 0.0 110.987 172.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.484 ' HB2' ' CE2' ' A' ' 155' ' ' TYR . 2.4 p30 -73.6 175.34 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.743 . . . . 0.0 109.283 -173.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 154' ' ' PHE . 13.8 t80 -83.43 -0.37 49.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -174.093 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -110.48 95.32 22.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 173.433 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -170.63 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.429 1.752 . . . . 0.0 110.958 -177.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -136.48 -178.89 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.195 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -71.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -178.716 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 152.06 -94.5 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.67 12.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.052 178.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.94 -170.73 49.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.44 -161.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 0.794 . . . . 0.0 109.377 178.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 157' ' ' PHE . 19.3 t -44.87 120.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.471 HD11 ' C31' ' A' ' 256' ' ' INH . 12.8 mt -88.84 -42.04 12.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 171.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.95 139.7 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 177.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 155' ' ' TYR . 1.7 p-80 -130.97 163.69 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 -176.024 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.884 ' HB2' ' OE1' ' A' ' 202' ' ' GLU . . . -155.35 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.444 ' CE1' ' CE2' ' A' ' 155' ' ' TYR . 0.1 OUTLIER -142.95 145.07 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -176.805 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 170' ' ' PRO . . . -50.54 173.91 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 173.838 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 169' ' ' ALA . 18.1 Cg_endo -75.05 158.25 42.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.945 -176.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 165.82 -128.83 1.83 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -177.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.92 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 0.0 110.967 176.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.0 61.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 -170.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 5.7 tp -85.09 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 109.39 178.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 169' ' ' ALA . 4.2 m-20 -88.64 157.1 18.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -176.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 89.87 -27.33 8.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 165.78 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 0.702 . . . . 0.0 109.356 -177.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.553 ' HB1' ' OE1' ' A' ' 202' ' ' GLU . . . -136.56 122.22 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -106.4 121.96 45.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.561 -175.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 146' ' ' PHE . 30.8 m-85 -103.84 167.77 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 174.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.34 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -12.51 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.367 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 148' ' ' VAL . 0.3 OUTLIER -92.15 23.93 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -177.489 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -143.04 156.77 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.239 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 186' ' ' TRP . 21.0 tt0 -73.47 156.25 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.423 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 185' ' ' GLN . 87.4 m95 -143.51 155.73 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 107.995 177.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.524 ' CG2' ' HA3' ' A' ' 192' ' ' GLY . 0.1 OUTLIER -145.92 169.66 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 176.583 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 8.18 44.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 178.564 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.64 -164.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.7 p -96.22 57.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -176.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 13.7 t -124.8 10.59 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 173.234 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.524 ' HA3' ' CG2' ' A' ' 187' ' ' THR . . . -170.52 -143.12 3.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 m -83.76 93.98 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 170.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' ASN . . . . . 0.548 HD21 HD13 ' A' ' 229' ' ' LEU . 10.9 t-20 -54.14 109.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -176.628 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.4 -57.73 6.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -173.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' PHE . . . . . 0.589 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -52.09 -46.4 65.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 111.06 -174.047 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.794 HD21 ' H48' ' A' ' 256' ' ' INH . 0.9 OUTLIER -63.19 -35.77 81.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -177.936 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.66 -31.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . . . -58.49 -39.64 80.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -178.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' ' 120' ' ' ALA . . . -60.71 -47.67 85.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 201' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.31 -49.54 74.02 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 121.12 -0.988 . . . . 0.0 110.898 177.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.884 ' OE1' ' HB2' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -52.33 -61.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 177.713 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.08 -35.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -174.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -55.11 -43.99 83.54 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 178.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 205' ' ' HIS . . . . . 0.881 ' HB2' ' HB3' ' A' ' 167' ' ' ALA . 44.2 m-70 -65.04 -35.26 80.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.593 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.3 m -71.45 -31.44 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -177.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.56 -99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . 0.418 ' O ' HD11 ' A' ' 245' ' ' LEU . . . -154.13 26.53 0.71 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -175.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.962 HD22 ' CE1' ' A' ' 83' ' ' PHE . 74.8 mt -122.91 169.29 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 173.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 210' ' ' PHE . . . . . 0.629 ' O ' ' CD2' ' A' ' 211' ' ' HIS . 9.2 m-85 -146.01 -57.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 172.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 210' ' ' PHE . 41.4 m170 -149.23 123.51 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -178.097 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 79.6 p -78.94 -105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -177.291 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -179.55 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -176.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.7 149.9 29.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 220' ' ' TYR . 75.6 p -86.56 -27.59 23.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -176.621 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.36 -3.31 58.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -176.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.97 -153.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -126.99 -50.2 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -174.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 219' ' ' MET . . . . . . . . . . . . . 91.3 mmm -66.04 -10.72 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -178.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . 0.521 ' CD1' ' HD2' ' A' ' 221' ' ' PRO . 29.8 t80 -45.75 133.21 6.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.916 174.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 220' ' ' TYR . 18.5 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 222' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.23 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 109.305 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 223' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.5 144.1 54.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 224' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -145.04 123.96 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 -177.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . . . . . . . . . 78.5 p -107.41 177.32 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 178.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 15.5 tp -155.25 146.17 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 227' ' ' THR . . . . . . . . . . . . . 10.9 t -51.14 -32.88 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.56 108.76 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 177.076 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 229' ' ' LEU . 0.1 OUTLIER -65.24 -18.03 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.222 -178.046 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 230' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -8.79 3.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.46 -6.02 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -176.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -55.89 143.27 32.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 111.03 -177.735 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 233' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -156.91 147.95 21.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 234' ' ' LEU . . . . . 0.609 HD13 ' CZ3' ' A' ' 124' ' ' TRP . 40.2 mt -68.5 125.25 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 174.309 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 59.4 m -70.16 162.44 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.02 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 236' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.11 -28.51 40.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.31 -41.96 98.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.46 -47.99 76.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -178.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 239' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 242' ' ' ILE . 2.8 mp -67.91 -36.31 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -175.036 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 240' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -49.23 -44.67 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . 0.428 ' HA3' ' CD2' ' A' ' 83' ' ' PHE . . . -77.19 -56.48 3.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -177.137 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 242' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 239' ' ' ILE . 1.6 tp -53.91 -44.77 62.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 109.335 -173.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 243' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -71.63 -26.52 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -176.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 37.2 t -68.94 -29.15 67.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 177.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 208' ' ' GLY . 1.0 OUTLIER -80.33 -28.34 38.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 176.217 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 246' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 130' ' ' LEU . 37.5 m-85 -142.0 -90.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -176.339 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 247' ' ' GLY . . . . . . . . . . . . . . . 96.48 119.16 3.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 177.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.22 27.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.45 7.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.68 8.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.45 159.2 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 2.3 p -70.69 149.27 95.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 253' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.06 5.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.74 160.07 16.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.397 -179.851 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 257' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 258' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 256' ' ' INH . . . . . 0.794 ' H48' HD21 ' A' ' 197' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_